SCHEMBL8889083

SCHEMBL8889083

CC(C)(C)OC(=O)NC(CCOc1ccc(N2CCN(c3ccncc3)CC2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.50
ITGA2B P08514 6/20 0.50
HRH3 Q9Y5N1 11/20 0.46
HRH1 P35367 4/20 0.45
HRH2 P25021 3/20 0.45
PTPN1 P18031 1/20 0.42

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
SCHEMBL8907370 0.91 ITGB3 (0.47) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL9089274 0.79 ITGB3 (0.58) ITGB3ITGA2BPTPN1
SCHEMBL9089268 0.79 ITGB3 (0.58) ITGB3ITGA2BPTPN1
SCHEMBL9089276 0.79 ITGB3 (0.58) ITGB3ITGA2BPTPN1
SCHEMBL11455855 0.77 ITGB3 (0.56) ITGB3ITGA2BHRH1HRH2PTPN1
SCHEMBL9081854 0.77 ITGB3 (0.51) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL11370281 0.76 ITGB3 (0.55) ITGB3ITGA2BPTPN1
SCHEMBL27757441 0.76 ITGB3 (0.61) ITGB3ITGA2BPTPN1
SCHEMBL11368691 0.76 ITGB3 (0.55) ITGB3ITGA2BPTPN1
SCHEMBL27757439 0.76 ITGB3 (0.61) ITGB3ITGA2BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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