SCHEMBL7356751

SCHEMBL7356751

C=CCN1C(=O)CN(CCC(=O)OCC)C(=O)c2cc(OC(C=C)(Cc3ccccc3)C(=N)N)ccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
F2 P00734 4/20 0.33
F10 P00742 4/20 0.33
TNF P01375 2/20 0.32
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PLA2G2A P14555 1/20 0.30

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
SCHEMBL7353435 0.86 MAPT (0.34) ITGB3ITGA2BTNFCHRM1SLC6A2
SCHEMBL7363847 0.77 CREBBP (0.41)
SCHEMBL7355386 0.76 ALDH1A1 (0.38) ITGB3ITGA2BTNF
SCHEMBL7353647 0.73 MAPT (0.39)
SCHEMBL7326783 0.71 F2 (0.43) ITGB3ITGA2BF2F10
SCHEMBL8837288 0.70 ITGB3 (0.43) ITGB3ITGA2BF2F10
SCHEMBL7325904 0.70 BRD4 (0.42) ITGB3ITGA2BF2F10TNF
SCHEMBL7333070 0.70 ITGB3 (0.51) ITGB3ITGA2BF2F10
SCHEMBL8837043 0.69 F2 (0.40) ITGB3ITGA2BF2F10
SCHEMBL7323943 0.68 CHRM5 (0.40)

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