SCHEMBL8348135

SCHEMBL8348135

COc1c[c]ccc1OCCCBr

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PLAU P00749 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRSS1 P07477 3/20 0.34
LMNA P02545 2/20 0.34
FDPS P14324 3/20 0.33
L3MBTL4 Q8NA19 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7347065 0.95 L3MBTL1 (0.40) L3MBTL1TDP1ALDH1A1PLAUMAPT
SCHEMBL7180376 0.84 CYP1A2 (0.41) L3MBTL1TDP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL460078 0.84 L3MBTL1 (0.39) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL182766 0.83 TDP1 (0.41) L3MBTL1TDP1ALDH1A1SMN1; SMN2PRSS1
SCHEMBL1223127 0.83 TUBB1 (0.42) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL182689 0.82 FDPS (0.39) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8347049 0.82 TSHR (0.33) TDP1ALDH1A1MAPTRAB9ACYP2C19
SCHEMBL542448 0.82 KDM4E (0.40) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11717070 0.81 ALDH1A1 (0.43) L3MBTL1TDP1ALDH1A1MAPTHPGD
SCHEMBL6200785 0.81 ALDH1A1 (0.43) L3MBTL1TDP1ALDH1A1MAPTHPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919798-A USEFUL AS ANTIPSYCHOTIC AND ANALGESIC AGENTS. HOECHST MARION ROUSSEL, INC. (US) 1999-07-06 US disclosed
US-5889035-A 1-(Arylthioalkyl, arylaminoalkyl or arylmethylenealkyl)-3-(heteroaryl) pyrrolidines and related compounds useful as antipsychotics and analgesics HOECHST MARION ROUSSEL, INC. (US) 1999-03-30 US disclosed
US-5889004-A PSYCHOLOGICAL DISORDERS, ANALGESICS HOECHST MARION ROUSSEL, INC. (US) 1999-03-30 US disclosed
US-5874435-A PSYCHOLOGICAL DISORDERS; ANALGESICS HOECHST MARION ROUSSEL, INC. (US) 1999-02-23 US disclosed
US-5854243-A 3-heteroaryl-1-pyrrolidinealkylthiols and derivatives thereof and their therapeutic utility HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
US-5854263-A 1- (1,4-benzodioxanyl)alkyl!-3-(heteroaryl) pyrrolidines and related compounds and their therapeutic utility HOECHST MARION ROUSSEL, INC. (US) 1998-12-29 US disclosed
US-5843977-A (3-heteroaryl-1-pyrrolidinyl) alkoxy!-3,4-dihydro-1(2H)-naphthalenones and related compounds and their therapeutic utility HOECHST MARION ROSUEEL, INC. 1998-12-01 US disclosed
US-5843949-A 1-(1H-indolyloxyalkyl)-4-(heteroaryl)piperazines and related compounds useful as antipsychotics and analgesics HOECHST MARION ROUSSEL, INC. 1998-12-01 US disclosed
US-5840727-A ANTIPSYCHOTICS, ANALGESICS AVENTIS PHARMACEUTICALS INC. 1998-11-24 US disclosed
US-5811430-A 1 (2-pyrimidinyloxy) alkyl!-4- (heteroaryl) Piperidines and related compounds and their therapeutic utility HOECHST MARION ROUSSEL, INC. 1998-09-22 US disclosed
US-5811435-A 2- (4-heteroaryl-1-piperidinyl)alkyl!-1,3-dioxanes and related compounds and their therapeutic utility HOECHST MARION RUSSEL, INC. 1998-09-22 US disclosed
US-5776963-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-07-07 US disclosed
US-5756743-A USEFUL IN TREATING MEMORY DYSFUNCTION AND DEPRESSION HOECHST MARION ROUSSEL INC. (US) 1998-05-26 US disclosed
US-5580875-A ANTIPSYCHOTIC AND ANALGESIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-12-03 US 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