SCHEMBL7419658

SCHEMBL7419658

NN=Cc1ccc(N2CCC(CC(=O)NCCC(=O)O)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.36
ITGA2B P08514 10/20 0.36
ITGB1 P05556 3/20 0.35
ITGA5 P08648 3/20 0.35
ITGAV P06756 4/20 0.34
HTT P42858 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGB6 P18564 1/20 0.33
PTPN1 P18031 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGAM P11215 1/20 0.32
ROCK2 O75116 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
SCHEMBL7416753 0.94 ITGB3 (0.34) ITGB3ITGA2BITGB1ITGA5ITGAV
SCHEMBL7418903 0.88 ITGB3 (0.51) ITGB3ITGA2BHTTRAB9AKDM4E
SCHEMBL8881209 0.86 HTT (0.41) HTTPTPN1KDM4EALDH1A1ROCK2
SCHEMBL8117404 0.82 ITGB3 (0.33) ITGB3ITGA2BHTTPTPN1KDM4E
SCHEMBL7418959 0.82 ITGB3 (0.47) ITGB3ITGA2BHTTKDM4EALDH1A1
SCHEMBL7416073 0.82 ITGB3 (0.38) ITGB3ITGA2BHTTPTPN1RAB9A
SCHEMBL7413115 0.82 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL9029392 0.82 OPRM1 (0.35) ITGB3ITGA2BHTTPTPN1KDM4E
SCHEMBL7419652 0.81 ITGB3 (0.53) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7419739 0.81 ITGB3 (0.38) ITGB3ITGA2BHTTPTPN1KDM4E

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 10 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
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed