SCHEMBL7380918

SCHEMBL7380918

NN=Cc1ccc(CCCCC(=O)NC(CC(=O)O)c2ccc(C=NN)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.60
ITGA2B P08514 6/20 0.60
ITGAV P06756 12/20 0.44
ITGB5 P18084 11/20 0.44
ITGB6 P18564 11/20 0.44
PLA2G2A P14555 1/20 0.41
ITGB8 P26012 10/20 0.41
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL7390056 0.96 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7384204 0.96 ITGB3 (0.67) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7388743 0.95 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7385778 0.95 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7385748 0.95 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7392702 0.95 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7388376 0.94 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7387377 0.92 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7384387 0.92 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL9710599 0.92 ITGB3 (0.57) ITGB3ITGA2BITGAVITGB5ITGB6

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
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO claimed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed