SCHEMBL7387377

SCHEMBL7387377

N#Cc1ccc(C(CC(=O)O)NC(=O)CCCCc2ccc(C=NN)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.52
ITGA2B P08514 4/20 0.52
ITGAV P06756 13/20 0.51
ITGB5 P18084 12/20 0.51
ITGB6 P18564 12/20 0.51
ITGB8 P26012 11/20 0.51
EEF2K O00418 1/20 0.41
GAA P10253 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL7380918 0.92 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7387460 0.89 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7390056 0.88 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7384204 0.88 ITGB3 (0.67) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7392702 0.87 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7385748 0.87 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7388743 0.87 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7385778 0.87 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7388376 0.86 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7389644 0.85 ITGB3 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

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