SCHEMBL7364232

SCHEMBL7364232

CCOC(=O)CCN1CC(=O)N(C2CCCCC2)c2ccc(OCc3cccc(C(=N)N)c3)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.39
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F10 P00742 2/20 0.36

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
SCHEMBL7331755 0.92 ITGB3 (0.47) ITGB3ITGA2BALDH1A1
SCHEMBL7321358 0.88 F2 (0.38) F2ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7326783 0.87 F2 (0.43) F2ITGB3ITGA2BNPC1RAB9A
Trifluoroacetic Acid SCHEMBL7321347 0.86 ITGB3 (0.45) F2ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7359392 0.86 MAOB (0.42)
SCHEMBL8837043 0.85 F2 (0.40) F2ITGB3ITGA2BF10
SCHEMBL7328483 0.85 F2 (0.41) F2ITGB3ITGA2BF10
SCHEMBL7321430 0.84 BRD4 (0.41) ITGB3ITGA2BALDH1A1
SCHEMBL7324527 0.82 MAOB (0.41) ALDH1A1RAB9A
SCHEMBL7363297 0.80 ITGB3 (0.45) F2ITGB3ITGA2B

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
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
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