SCHEMBL7354072

SCHEMBL7354072

CC(C)(C(=O)O)N1CC(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCCC3CCNCC3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.44
ITGA2B P08514 12/20 0.44
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CHRM5 P08912 2/20 0.36
CHEK2 O96017 1/20 0.36
DHODH Q02127 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ACACB O00763 2/20 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
SCHEMBL7354066 0.85 ITGB3 (0.42) ITGB3ITGA2BCASP3CASP7CHEK2
SCHEMBL7358023 0.85 ITGB3 (0.49) ITGB3ITGA2BCASP3CASP7CHRM5
SCHEMBL7357967 0.85 ITGB3 (0.49) ITGB3ITGA2BCHEK2DHODH
SCHEMBL7354080 0.84 ITGB3 (0.45) ITGB3ITGA2BACACB
SCHEMBL7353724 0.84 ITGB3 (0.41) ITGB3ITGA2BCHRM5DHODH
SCHEMBL7357407 0.84 ITGB3 (0.41) ITGB3ITGA2BCASP3CASP7CHEK2
SCHEMBL7355543 0.83 ITGB3 (0.39) ITGB3ITGA2BCASP3CASP7CHRM5
SCHEMBL7362418 0.82 ITGB3 (0.47) ITGB3ITGA2BCHEK2DHODH
SCHEMBL7358255 0.80 ITGB3 (0.45) ITGB3ITGA2BCHEK2DHODH
SCHEMBL7359440 0.79 MAP4K4 (0.39) CASP3CASP7CHRM5PPARGPPARD

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-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed