SCHEMBL7400703

SCHEMBL7400703

Cc1cc(N2CCN(c3ccncc3)CC2)ccc1OCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
HTR1A P08908 4/20 0.48
HTR2A P28223 1/20 0.48
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FABP3 P05413 1/20 0.43

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
SCHEMBL8889153 0.88 KDM4E (0.47) KDM4EMAPTITGB3ITGA2BHTR1A
SCHEMBL8888301 0.84 ITGB3 (0.45) ITGB3ITGA2BHTR1AHTR2AHRH3
SCHEMBL7402481 0.82 ENPP2 (0.49) KDM4EMAPTITGB3ITGA2BRAB9A
SCHEMBL7396530 0.81 PPARA (0.45) KDM4EMAPTITGB3ITGA2BSMN1; SMN2
SCHEMBL7334548 0.81 ITGB3 (0.62) MAPTITGB3ITGA2BRAB9ANPC1
SCHEMBL9275998 0.81 SMN1; SMN2 (0.53) KDM4EMAPTITGB3ITGA2BHTR1A
SCHEMBL7493723 0.80 ITGB3 (0.50) MAPTITGB3ITGA2BGLAHRH3
SCHEMBL7398601 0.80 F10 (0.43) KDM4EMAPTITGB3ITGA2BHTR1A
SCHEMBL7398027 0.80 MAPT (0.56) KDM4EMAPTITGB3ITGA2BTSHR
SCHEMBL7395116 0.80 HRH3 (0.50) ITGB3ITGA2BHRH3

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 7 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
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-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