SCHEMBL7329334

SCHEMBL7329334

COC(=O)C(Cc1ccc(OCC2CCN(c3ccncc3)CC2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 5/20 0.50
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ACACB O00763 5/20 0.43
F10 P00742 3/20 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
SCHEMBL7329340 1.00 YAP1 (0.50) YAP1HRH2HRH1ITGB3ITGA2B
SCHEMBL7326259 0.86 YAP1 (0.53) YAP1ITGB3ITGA2B
SCHEMBL3498974 0.86 YAP1 (0.53) YAP1HRH2HRH1ITGB3ITGA2B
SCHEMBL3498976 0.86 YAP1 (0.53) YAP1HRH2HRH1ITGB3ITGA2B
SCHEMBL7398105 0.84 ACACB (0.49) YAP1ITGB3ITGA2BACACB
SCHEMBL3500200 0.83 CACNA1B (0.56) YAP1ITGB3ITGA2BACACB
SCHEMBL3500202 0.83 CACNA1B (0.56) YAP1ITGB3ITGA2BACACB
SCHEMBL7327020 0.82 ACACB (0.47) ITGB3ITGA2BACACBF10
SCHEMBL7327023 0.82 ACACB (0.47) ITGB3ITGA2BACACBF10
SCHEMBL7395507 0.81 ACACB (0.45) ACACB

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