SCHEMBL7323919

SCHEMBL7323919

CC(CN1CC(=O)N(C)c2ccc(CCCCCCN)cc2C1=O)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRB2 P47870 1/20 0.30
RXRA P19793 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
Trifluoroacetic Acid SCHEMBL7323917 0.87 ITGB3 (0.37) ITGB3ITGA2BPRMT5WDR77GABRA1
SCHEMBL7331761 0.85 ITGB3 (0.40) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7329192 0.82 ITGB3 (0.44) ITGB3ITGA2BRXRA
Trifluoroacetic Acid SCHEMBL7331756 0.79 ITGB3 (0.50) ITGB3ITGA2BRXRA
Trifluoroacetic Acid SCHEMBL8837001 0.78 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL9009310 0.77 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7331386 0.77 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7334902 0.76 ITGB3 (0.55) ITGB3ITGA2BRXRA
Trifluoroacetic Acid SCHEMBL7329185 0.75 ITGB3 (0.53) ITGB3ITGA2BRXRA
SCHEMBL7331731 0.74 ITGB3 (0.42) ITGB3ITGA2BRXRA

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