SCHEMBL7330701

SCHEMBL7330701

CCOC(=O)CCN1CC(=O)N(c2ccccc2)c2ccc(C#Cc3ccc(C(=N)N)cc3)cc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.64
ITGA2B P08514 12/20 0.64
GRM4 Q14833 1/20 0.37
F2 P00734 8/20 0.37
F10 P00742 7/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL7330685 0.88 ITGB3 (0.78) ITGB3ITGA2BF2F10
SCHEMBL7330729 0.87 ITGB3 (0.65) ITGB3ITGA2BF2F10
SCHEMBL9009390 0.87 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7322854 0.85 ITGB3 (0.63) ITGB3ITGA2BF2F10
Trifluoroacetic Acid SCHEMBL7333942 0.85 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7331027 0.84 ITGB3 (0.61) ITGB3ITGA2BF2F10
SCHEMBL7331720 0.83 ITGB3 (0.67) ITGB3ITGA2BGRM4F2F10
SCHEMBL7363482 0.82 ITGB3 (0.59) ITGB3ITGA2BF2F10
Ethyl Acetate SCHEMBL7330809 0.80 ITGB3 (0.85) ITGB3ITGA2BF2F10
SCHEMBL7319470 0.80 ITGB3 (0.44) ITGB3ITGA2BGAAMEN1KMT2A

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
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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed