SCHEMBL7326259

SCHEMBL7326259

COC(=O)[C@H](Cc1ccc(OCC2CCN(c3ccncc3)CC2)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 11/20 0.53
ITGB3 P05106 7/20 0.53
ITGA2B P08514 7/20 0.53
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ITGAV P06756 1/20 0.48

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
SCHEMBL7401785 0.92 ITGB3 (0.55) YAP1ITGB3ITGA2BITGAV
SCHEMBL7398984 0.91 ITGB3 (0.61) YAP1ITGB3ITGA2BITGAV
SCHEMBL7329334 0.86 YAP1 (0.50) YAP1ITGB3ITGA2B
SCHEMBL7329340 0.86 YAP1 (0.50) YAP1ITGB3ITGA2B
SCHEMBL7404574 0.85 ITGB3 (0.64) YAP1ITGB3ITGA2BITGAV
SCHEMBL8637813 0.84 F10 (0.44) YAP1ITGB3ITGA2BCTSSCTSK
SCHEMBL3133288 0.84 CTSS (0.60) YAP1ITGB3ITGA2BCTSSCTSK
SCHEMBL7326264 0.84 ITGB3 (0.46) ITGB3ITGA2BCTSSCTSK
SCHEMBL7398105 0.82 ACACB (0.49) YAP1ITGB3ITGA2B
SCHEMBL16377928 0.81 ITGB3 (0.66) ITGB3ITGA2BPOLBGFERITGAV

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