SCHEMBL7416655

SCHEMBL7416655

NN=Cc1ccc(N2CCC(CC(=O)N[C@@H](CC(=O)O)c3ccoc3)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.36
ITGA2B P08514 3/20 0.36
ITGAV P06756 9/20 0.32
PTPN1 P18031 1/20 0.30

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
SCHEMBL8117189 0.95 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL7417886 0.89 ITGB3 (0.42) ITGB3ITGA2BITGAVPTPN1
SCHEMBL7533398 0.85 LMNA (0.33) ITGB3ITGA2B
SCHEMBL7416642 0.84 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7416650 0.84 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7419412 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAVPTPN1
SCHEMBL7416073 0.82 ITGB3 (0.38) ITGB3ITGA2BPTPN1
SCHEMBL7422771 0.81 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7419739 0.81 ITGB3 (0.38) ITGB3ITGA2BPTPN1
SCHEMBL7423992 0.80 ITGB3 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3034046-B2 2000-04-17 JP claimed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO claimed