SCHEMBL7415142

SCHEMBL7415142

CCOC(=O)CCNC(=O)NC1CCN(c2ccc(C=NN)cc2)C1=O

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.73
ITGA2B P08514 1/20 0.73
FPR2 P25090 13/20 0.39
FPR1 P21462 8/20 0.38
POLB P06746 1/20 0.36
CYP17A1 P05093 1/20 0.34
CYP21A2 P08686 1/20 0.34
CYP11B1 P15538 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.33

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
Acetic Acid SCHEMBL7417478 0.97 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1POLB
Trifluoroacetic Acid SCHEMBL7411886 0.94 ITGB3 (0.65) ITGB3ITGA2BFPR2FPR1
SCHEMBL7449818 0.91 ITGB3 (0.70) ITGB3ITGA2BFPR2FPR1POLB
Hydrochloric Acid SCHEMBL7447965 0.90 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7448710 0.88 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7413115 0.88 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7446837 0.87 ITGB3 (0.67) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7455162 0.87 ITGB3 (0.67) ITGB3ITGA2BFPR2FPR1POLB
Acetic Acid SCHEMBL7418347 0.87 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7449994 0.85 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1POLB

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 5 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
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed