SCHEMBL7359355

SCHEMBL7359355

CCC(C(=O)O)N1CC(=O)N(c2cccc(C(F)(F)F)c2)c2ccc(OCCC3CCNCC3)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
GALR3 O60755 11/20 0.37
DRD5 P21918 2/20 0.36
DRD2 P14416 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRA1A P35348 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 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
SCHEMBL7359640 0.84 ITGB3 (0.46) ITGB3ITGA2BGALR3DRD5DRD2
SCHEMBL7357962 0.83 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7354771 0.81 GALR3 (0.38) GALR3DRD5HSD17B10PPARGPPARA
SCHEMBL7362416 0.81 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7358863 0.80 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7358251 0.80 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7354066 0.78 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7353720 0.77 ITGB3 (0.40) ITGB3ITGA2BALDH1A1
SCHEMBL8842975 0.69 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7358255 0.68 ITGB3 (0.45) 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-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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed