SCHEMBL7364769

SCHEMBL7364769

COC(=O)COc1ccc(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 1/20 0.40
AOC2 O75106 1/20 0.40
MAOA P21397 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
KDM4E B2RXH2 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7684996 0.90 GAA (0.42) MAPTSMN1; SMN2AOC2MAOAALDH1A1
SCHEMBL17153096 0.80 NR1H2 (0.45) MAPTLMNASMN1; SMN2NR1H2ALDH1A1
SCHEMBL7680850 0.78 TP53 (0.43) ALDH1A1GPR119KDM4E
SCHEMBL7687431 0.76 GPR119 (0.44) MAPTALDH1A1GPR119KDM4EMEN1
SCHEMBL7333641 0.76 HRH3 (0.47) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL21063418 0.75 NR1H2 (0.41) MAPTLMNASMN1; SMN2NR1H2ALDH1A1
SCHEMBL7369010 0.75 MAPT (0.59) MAPTLMNASMN1; SMN2ALDH1A1GPR119
SCHEMBL7327284 0.75 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27180336 0.73 SMN1; SMN2 (0.51) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9030646 0.73 GPR119 (0.44) GPR119SIRT3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed