SCHEMBL7342159

SCHEMBL7342159

NN=CNc1cccc(C(=O)CNCC(=O)NC(CC(=O)O)c2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.49
ITGA2B P08514 14/20 0.49
SUCNR1 Q9BXA5 2/20 0.48
ITGAV P06756 12/20 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
SCHEMBL7343426 0.89 SUCNR1 (0.53) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL6779399 0.83 GPR132 (0.47)
SCHEMBL6773807 0.81 ITGB3 (0.48) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL6777410 0.81 SUCNR1 (0.54) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL27485849 0.79 ITGB3 (0.46) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL7832625 0.78 TP53 (0.41)
SCHEMBL6782755 0.78 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7348665 0.77 ITGB3 (0.48) ITGB3ITGAV
SCHEMBL7336878 0.76 SUCNR1 (0.47) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL7832621 0.76 ITGB3 (0.44) ITGB3ITGA2BITGAV

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
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed