SCHEMBL8907370

SCHEMBL8907370

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
HRH3 Q9Y5N1 12/20 0.45
HRH1 P35367 5/20 0.44
HRH2 P25021 4/20 0.44

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
SCHEMBL8889083 0.91 ITGB3 (0.50) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL7329340 0.79 YAP1 (0.50) ITGB3ITGA2BHRH1HRH2
SCHEMBL7329334 0.79 YAP1 (0.50) ITGB3ITGA2BHRH1HRH2
SCHEMBL9080518 0.79 ITGB3 (0.54) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL21301659 0.79 ITGB3 (0.48) ITGB3ITGA2BHRH1HRH2
SCHEMBL1834332 0.79 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL1834331 0.79 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL11456532 0.78 HRH2 (0.53) ITGB3ITGA2BHRH1HRH2
SCHEMBL9080305 0.77 ITGB3 (0.48) ITGB3ITGA2BHRH3HRH1
SCHEMBL9080299 0.76 ITGB3 (0.55) ITGB3ITGA2BHRH3HRH1

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 2 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