SCHEMBL9028236

SCHEMBL9028236

N=C(N)c1ccc(N2CCC(CC(=O)NC#CCCC(=O)O)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.44
ITGA2B P08514 20/20 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
SCHEMBL9028226 1.00 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL27529642 0.87 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7419652 0.84 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL27398645 0.82 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL27369760 0.82 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL9029210 0.82 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL8557864 0.82 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7417379 0.80 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7417376 0.80 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL8118529 0.78 ITGB3 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed