SCHEMBL7363380

SCHEMBL7363380

NCCOc1ccc(-c2ccc3c(c2)C(=O)N(CCC(=O)O)CC(=O)N3Cc2ccc(F)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
CHRM5 P08912 2/20 0.39
FFAR4 Q5NUL3 10/20 0.35
FFAR1 O14842 2/20 0.35
CHRM1 P11229 2/20 0.35
HTR2A P28223 2/20 0.34
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MMP13 P45452 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
SCHEMBL7356283 0.88 ITGB3 (0.43) ITGB3ITGA2BCHRM5FFAR1HRH1
SCHEMBL7362408 0.87 CHRM5 (0.38) CHRM5CHRM1HTR2ACASP3CASP7
SCHEMBL7361036 0.86 CHRM5 (0.38) ITGB3CHRM5FFAR4FFAR1CHRM1
SCHEMBL7359718 0.84 ITGB3 (0.41) ITGB3ITGA2BCHRM5FFAR4FFAR1
SCHEMBL7362405 0.84 CHRM5 (0.43) CHRM5CHRM1HTR2ACASP3CASP7
SCHEMBL7362910 0.83 CHRM5 (0.37) CHRM5CHRM1HTR2ACASP3CASP7
SCHEMBL9284640 0.83 NPC1 (0.38) ITGB3ITGA2BCHRM5CHRM1HTR2A
SCHEMBL7362403 0.83 CHRM5 (0.38) CHRM5CHRM1HTR2ACASP3CASP7
SCHEMBL7354009 0.82 ITGB3 (0.44) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL7359698 0.82 ITGB3 (0.57) ITGB3ITGA2BFFAR4FFAR1

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 10 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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed