SCHEMBL7422392

SCHEMBL7422392

CCOC(=O)CC(NC(=O)CC1CCCN(c2ccc(C(=N)N)cc2)C1=O)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
POLB P06746 3/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
THRB P10828 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2 P00734 3/20 0.40
F10 P00742 3/20 0.40
NPC1 O15118 1/20 0.38
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
F9 P00740 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7410866 0.91 ITGB3 (0.48) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7420891 0.91 ITGB3 (0.48) ITGB3ITGA2BF2F10PRSS1
SCHEMBL27366188 0.91 ITGB3 (0.48) ITGB3ITGA2BF2F10PRSS1
SCHEMBL8116565 0.90 ITGB3 (0.42) ITGB3ITGA2BF2LMNA
SCHEMBL7420050 0.87 ITGB3 (0.46) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7533390 0.87 ITGB3 (0.46) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7533394 0.87 ITGB3 (0.46) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7532341 0.87 POLB (0.42) POLBMAPTGAATHRBALDH1A1
SCHEMBL7421976 0.86 ITGB3 (0.51) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7418867 0.85 ITGB3 (0.51) ITGB3ITGA2BF2F10PRSS1

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 7 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
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