SCHEMBL7416753

SCHEMBL7416753

NN=Cc1ccc(N2CCCC(CC(=O)NCCC(=O)O)C2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.34
ITGA2B P08514 10/20 0.34
ITGB1 P05556 3/20 0.34
ITGA5 P08648 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ITGAV P06756 3/20 0.33
ITGA4 P13612 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGB6 P18564 1/20 0.32
HTT P42858 1/20 0.32
F2 P00734 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL7419658 0.94 ITGB3 (0.36) ITGB3ITGA2BITGB1ITGA5ITGAV
SCHEMBL7418959 0.88 ITGB3 (0.47) ITGB3ITGA2BHTTKDM4EALDH1A1
SCHEMBL8115237 0.83 HSD17B10 (0.31) ITGB3ITGA2BHTT
SCHEMBL7424245 0.83 ITGB3 (0.36) ITGB3ITGA2BSMN1; SMN2TDP1HTT
SCHEMBL7424236 0.83 ITGB3 (0.36) ITGB3ITGA2BSMN1; SMN2TDP1HTT
SCHEMBL8117264 0.83 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2TDP1HTT
SCHEMBL7414406 0.83 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2TDP1HTT
SCHEMBL7416748 0.82 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7418903 0.82 ITGB3 (0.51) ITGB3ITGA2BHTTKDM4EALDH1A1
SCHEMBL7416285 0.81 ITGB3 (0.38) ITGB3ITGA2BITGB1ITGA4HTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP claimed
CN-1054842-C Platelet aggregation inhibitors SEARLE & CO (US) 2000-07-26 CN claimed
JP-3034046-B2 2000-04-17 JP claimed
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN claimed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO claimed
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
CN-1054842-C Platelet aggregation inhibitors SEARLE & CO (US) 2000-07-26 CN disclosed
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN disclosed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed