SCHEMBL7425545

SCHEMBL7425545

CCOC(=O)CCN1CC(=O)N(CC(C)C)c2ccc(OCCCCC(=N)N)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
PLA2G2A P14555 3/20 0.38
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
TNF P01375 2/20 0.35
PDK2 Q15119 1/20 0.35
ALDH2 P05091 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
FFAR1 O14842 1/20 0.33
AOC3 Q16853 2/20 0.33

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
SCHEMBL7325904 0.92 BRD4 (0.42) BRD4ITGB3ITGA2BPLA2G2AGABRA1
SCHEMBL7331852 0.89 BRD4 (0.41) BRD4ITGB3ITGA2BPLA2G2AGABRA1
SCHEMBL7357541 0.89 BRD4 (0.41) BRD4ITGB3ITGA2BPLA2G2AGABRA1
SCHEMBL7352995 0.88 ITGB3 (0.36) ITGB3ITGA2BPDK2AOC3
Trifluoroacetic Acid SCHEMBL7352986 0.86 ITGB3 (0.44) ITGB3ITGA2BPDK2
SCHEMBL8837035 0.85 ITGB3 (0.48) ITGB3ITGA2BF2F10
SCHEMBL7321430 0.84 BRD4 (0.41) BRD4ITGB3ITGA2BPLA2G2AGABRA1
SCHEMBL8837043 0.83 F2 (0.40) ITGB3ITGA2BF2F10
SCHEMBL7424967 0.81 ALDH1A1 (0.41) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7325785 0.81 BRD4 (0.43) BRD4ITGB3ITGA2BGABRA1GABRG2

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