SCHEMBL460078

SCHEMBL460078

COc1c[c]ccc1OCCCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 5/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PRSS1 P07477 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3118111 0.93 L3MBTL1 (0.37) L3MBTL1TDP1HPGDMAPTMAPK1
SCHEMBL27520110 0.93 L3MBTL1 (0.39) L3MBTL1TDP1HPGDMAPTMAPK1
SCHEMBL7180376 0.86 CYP1A2 (0.41) L3MBTL1TDP1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL182766 0.84 TDP1 (0.41) L3MBTL1TDP1SMN1; SMN2ALDH1A1PRSS1
SCHEMBL1223127 0.84 TUBB1 (0.42) L3MBTL1TDP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8348135 0.84 L3MBTL1 (0.38) L3MBTL1TDP1HPGDMAPTMAPK1
SCHEMBL182689 0.84 FDPS (0.39) L3MBTL1TDP1HPGDMAPTMAPK1
SCHEMBL542448 0.84 KDM4E (0.40) L3MBTL1TDP1HPGDMAPTSMN1; SMN2
SCHEMBL11717070 0.83 ALDH1A1 (0.43) L3MBTL1TDP1HPGDMAPTALDH1A1
SCHEMBL6200785 0.83 ALDH1A1 (0.43) L3MBTL1TDP1HPGDMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032532-A1 \"PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF\ SYMED LABS LIMITED (IN) 2012-03-15 WO claimed
WO-2011055188-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ILOPERIDONE ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-05-12 WO claimed
CN-101824030-A Preparation method of Iloperidone BEIJING DVENTUREPHARM TECHNOLOGY DEV CO LTD 2010-09-08 CN claimed
CN-102516236-B Preparation method of antipsychotic drug iloperidone MEDISAN PHARMACEUTICAL CO LTD HARBIN 2014-05-07 CN disclosed
WO-2012164516-A1 PROCESS FOR THE PREPARATION OF ILOPERIDONE LUPIN LIMITED (IN) 2012-12-06 WO disclosed
WO-2012153341-A1 A PROCESS FOR THE PREPARATION OF ILOPERIDONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ARCH PHARMALABS LIMITED (IN) 2012-11-15 WO disclosed
US-8198305-B2 1-(4-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methoxy-d3-phenyl)ethanone substituted with deuterium ions; antipsycholtic agent CONCERT PHARMACEUTICALS INC. (US) 2012-06-12 US disclosed
WO-2012063269-A2 PROCESS FOR PREPARING ILOPERIDONE CADILA HEALTHCARE LIMITED (IN) 2012-05-18 WO disclosed
WO-2012032532-A1 \"PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF\ SYMED LABS LIMITED (IN) 2012-03-15 WO disclosed
WO-2011055188-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ILOPERIDONE ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-05-12 WO disclosed
CN-101824030-A Preparation method of Iloperidone BEIJING DVENTUREPHARM TECHNOLOGY DEV CO LTD 2010-09-08 CN disclosed
WO-1995011680-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-05-04 WO disclosed
US-5364866-A Side effect reduction HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1994-11-15 US disclosed
EP-0612318-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-08-31 EP disclosed
US-5340936-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-23 US disclosed
US-5334599-A Heteroaryl-8-azabicyclo[3,2,1]octanes as antipsychotic agents, 5-HT3 receptor antagonists and inhibitors of the reuptake of serotonin HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-02 US disclosed
US-5234931-A Anxiolytic agents; antdepressants; schizophrenia; drug abuse; medical diagnosis HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-08-10 US disclosed
WO-1993009102-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1993-05-13 WO disclosed
EP-0498331-A1 N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-08-12 EP disclosed
CN-1048037-A N- (aryloxyalkyl) heteroarylpiperidines and heteroarylpiperazines, their preparation and their use as pharmaceuticals HOECHST ROUSSEL PHARMA (US) 1990-12-26 CN disclosed