SCHEMBL7413115

SCHEMBL7413115

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.55
ITGA2B P08514 3/20 0.55
FPR2 P25090 13/20 0.43
FPR1 P21462 9/20 0.43
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35

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 SCHEMBL7418347 0.97 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1CA12
Trifluoroacetic Acid SCHEMBL7411809 0.94 ITGB3 (0.50) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7446276 0.90 ITGB3 (0.52) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7415142 0.88 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1HDAC1
Acetic Acid SCHEMBL7417478 0.87 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1
SCHEMBL7455089 0.86 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7411886 0.84 ITGB3 (0.65) ITGB3ITGA2BFPR2FPR1
SCHEMBL7450172 0.82 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1
SCHEMBL8122590 0.82 ITGB3 (0.47) ITGB3ITGA2BFPR2FPR1CA12
SCHEMBL7419658 0.82 ITGB3 (0.36) 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 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