SCHEMBL7422020

SCHEMBL7422020

C#C[C@H](CC(=O)O)NC(=O)CC1CCN(c2ccc(C=NN)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.49
ITGA2B P08514 9/20 0.49
ITGAV P06756 2/20 0.38
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
ROCK2 O75116 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
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
SCHEMBL7422459 0.95 ITGB3 (0.54) ITGB3ITGA2BITGAVKDM4EALDH1A1
SCHEMBL7418297 0.95 ITGB3 (0.54) ITGB3ITGA2BITGAVKDM4EALDH1A1
SCHEMBL7423411 0.89 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL7416073 0.86 ITGB3 (0.38) ITGB3ITGA2BKDM4EALDH1A1HTT
SCHEMBL7419739 0.84 ITGB3 (0.38) ITGB3ITGA2BKDM4EALDH1A1HTT
SCHEMBL7421146 0.84 ITGB3 (0.43) ITGB3ITGA2BKDM4EALDH1A1HTT
SCHEMBL7421033 0.84 ITGB3 (0.43) ITGB3ITGA2BKDM4EALDH1A1HTT
SCHEMBL7417886 0.83 ITGB3 (0.42) ITGB3ITGA2BITGAVALDH1A1PTPN1
SCHEMBL9028243 0.83 ITGB3 (0.35) ITGB3ITGA2BKDM4EALDH1A1CA12
SCHEMBL9028262 0.83 ITGB3 (0.35) ITGB3ITGA2BKDM4EALDH1A1CA12

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
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
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