SCHEMBL7352995

SCHEMBL7352995

CC(C)CN1C(=O)CN(CCC(=O)OC(=O)C(F)(F)F)C(=O)c2cc(OCCCCC(=N)N)ccc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
PDK2 Q15119 1/20 0.32
CHRM5 P08912 3/20 0.31
AOC3 Q16853 2/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL7323584 0.92 ITGB3 (0.37) ITGB3ITGA2BPDK2CHRM5AOC3
Trifluoroacetic Acid SCHEMBL7352986 0.89 ITGB3 (0.44) ITGB3ITGA2BPDK2CHRM5TRPA1
SCHEMBL7319144 0.89 ITGB3 (0.37) ITGB3ITGA2BPDK2AOC3
SCHEMBL7425545 0.88 BRD4 (0.40) ITGB3ITGA2BPDK2AOC3
SCHEMBL7355156 0.86 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7330426 0.84 ITGB3 (0.34) ITGB3ITGA2BPDK2
SCHEMBL7363452 0.84 F2 (0.38) ITGB3ITGA2B
SCHEMBL9009468 0.82 ITGB3 (0.58) ITGB3ITGA2BTRPA1
Trifluoroacetic Acid SCHEMBL7323573 0.80 ITGB3 (0.46) ITGB3ITGA2BPDK2CHRM5
SCHEMBL7325904 0.79 BRD4 (0.42) ITGB3ITGA2BPDK2AOC3

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