SCHEMBL7326264

SCHEMBL7326264

COC(=O)CC(NC(=O)OCc1ccccc1)c1ccc(OCC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
F10 P00742 2/20 0.43
ACACB O00763 4/20 0.42
GPR88 Q9GZN0 1/20 0.41

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
SCHEMBL7395507 0.85 ACACB (0.45) ACACB
SCHEMBL7326259 0.84 YAP1 (0.53) ITGB3ITGA2BCTSSCTSK
SCHEMBL7336334 0.79 F10 (0.46) ITGB3ITGA2BF10ACACB
Hydrochloric Acid SCHEMBL7329011 0.78 F10 (0.47) ITGB3ITGA2BF10ACACB
SCHEMBL8637813 0.78 F10 (0.44) ITGB3ITGA2BCTSSCTSKF10
SCHEMBL7403290 0.76 ITGB3 (0.45) ITGB3ITGA2BF10ACACB
SCHEMBL7396907 0.76 ALDH1A1 (0.45) ITGB3ITGA2BF10ACACB
SCHEMBL7401785 0.76 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7405501 0.76 F10 (0.49) ITGB3ITGA2BF10ACACB
SCHEMBL7398984 0.75 ITGB3 (0.61) ITGB3ITGA2B

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 9 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-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