SCHEMBL7419044

SCHEMBL7419044

C=C[C@H](CC(=O)OCC)NC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
CASP3 P42574 7/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MMEL1 Q495T6 1/20 0.30
CYP2D6 P10635 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 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
SCHEMBL7419186 0.95 ITGB3 (0.37) ITGB3ITGA2BCASP3MEN1KMT2A
SCHEMBL7419098 0.90 RAB9A (0.31) ITGB3ITGA2BCASP3ALDH1A1KDM4E
SCHEMBL7418875 0.89 ITGB3 (0.36) ITGB3ITGA2BCASP3ALDH1A1KDM4E
SCHEMBL7421037 0.89 ITGB3 (0.36) ITGB3ITGA2BCASP3ALDH1A1KDM4E
SCHEMBL7416285 0.89 ITGB3 (0.38) ITGB3ITGA2BHTT
SCHEMBL7419037 0.87 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7419041 0.87 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7419032 0.87 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7421146 0.86 ITGB3 (0.43) ITGB3ITGA2BCASP3ALDH1A1KDM4E
SCHEMBL7421033 0.86 ITGB3 (0.43) ITGB3ITGA2BCASP3ALDH1A1KDM4E

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 6 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
JP-3034046-B2 2000-04-17 JP 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
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed