SCHEMBL7356283

SCHEMBL7356283

NCCCCCOc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2Cc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.43
ITGA2B P08514 8/20 0.43
HDAC1 Q13547 6/20 0.35
MMP13 P45452 1/20 0.35
CHRM5 P08912 1/20 0.35
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FFAR1 O14842 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
SIRT1 Q96EB6 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
SCHEMBL7363380 0.88 ITGB3 (0.40) ITGB3ITGA2BMMP13CHRM5HRH1
SCHEMBL7357840 0.87 ITGB3 (0.38) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7363499 0.86 ITGB3 (0.40) ITGB3ITGA2BHDAC1CHRM5
SCHEMBL7361111 0.84 ITGB3 (0.46) ITGB3ITGA2BCHRM5
SCHEMBL7360844 0.84 ITGB3 (0.45) ITGB3ITGA2BMMP13CHRM5HRH3
SCHEMBL7363494 0.84 CHRM5 (0.38) ITGB3ITGA2BHDAC1CHRM5
SCHEMBL7358287 0.83 HDAC1 (0.36) ITGB3ITGA2BHDAC1
SCHEMBL7354920 0.83 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7363490 0.82 ITGB3 (0.37) ITGB3ITGA2BHDAC1CHRM5
SCHEMBL8837101 0.77 ITGB3 (0.68) ITGB3ITGA2BFFAR1KDM4EALOX15

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 11 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-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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed