SCHEMBL7416073

SCHEMBL7416073

CC(CC(=O)O)NC(=O)CC1CCN(c2ccc(C=NN)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.38
ITGA2B P08514 10/20 0.38
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PTPN1 P18031 1/20 0.32
ADAM17 P78536 2/20 0.31
RAB9A P51151 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
SCHEMBL7414406 0.94 ITGB3 (0.42) ITGB3ITGA2BHTTKMT2AKDM4E
SCHEMBL8117264 0.94 ITGB3 (0.42) ITGB3ITGA2BHTTKMT2AKDM4E
SCHEMBL7420314 0.89 ITGB3 (0.39) ITGB3ITGA2BKMT2AGAAADAM17
SCHEMBL9029392 0.88 OPRM1 (0.35) ITGB3ITGA2BHTTKDM4EALDH1A1
SCHEMBL7419739 0.87 ITGB3 (0.38) ITGB3ITGA2BHTTKDM4EALDH1A1
SCHEMBL7422020 0.86 ITGB3 (0.49) ITGB3ITGA2BHTTKDM4EALDH1A1
SCHEMBL7417886 0.86 ITGB3 (0.42) ITGB3ITGA2BALDH1A1PTPN1
SCHEMBL8881209 0.84 HTT (0.41) HTTKMT2AKDM4EALDH1A1MAPT
SCHEMBL8117806 0.84 HTT (0.31) ITGB3ITGA2BHTTPTPN1ADAM17
SCHEMBL8116006 0.83 ITGB3 (0.42) 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 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