SCHEMBL7384201

SCHEMBL7384201

N=C(N)c1ccc(CCCCC(=O)NC(CC(=O)O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 1.00
ITGA2B P08514 19/20 1.00
ITGAV P06756 1/20 0.52
ITGB5 P18084 1/20 0.52
ITGB6 P18564 1/20 0.52
F10 P00742 1/20 0.50

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
SCHEMBL7380913 0.95 ITGB3 (0.91) ITGB3ITGA2BF10
SCHEMBL7382715 0.94 ITGB3 (0.88) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7385774 0.92 ITGB3 (0.85) ITGB3ITGA2B
SCHEMBL9710595 0.92 ITGB3 (0.84) ITGB3ITGA2BF10
SCHEMBL7379216 0.91 ITGB3 (0.84) ITGB3ITGA2BF10
SCHEMBL7390051 0.91 ITGB3 (0.84) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7386333 0.91 ITGB3 (0.84) ITGB3ITGA2B
SCHEMBL7383931 0.91 ITGB3 (0.83) ITGB3ITGA2BF10
SCHEMBL7385745 0.90 ITGB3 (0.82) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7392699 0.90 ITGB3 (0.82) ITGB3ITGA2B

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
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP claimed
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