SCHEMBL7322934

SCHEMBL7322934

CCOC(=O)CCN1CC(=O)N(c2ccc(Cl)cc2)c2ccc(C#CCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
DRD2 P14416 8/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA6 Q16445 1/20 0.34
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
PTGS2 P35354 1/20 0.31
GABRB2 P47870 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
SCHEMBL7332546 0.98 CNR1 (0.42) CNR1DRD2ITGB3ITGA2BGABRA1
SCHEMBL7330156 0.93 CNR1 (0.37) CNR1DRD2ITGB3ITGA2BGABRA1
SCHEMBL7330736 0.93 CNR1 (0.36) CNR1DRD2ITGB3ITGA2BGABRA1
SCHEMBL7330124 0.91 CNR1 (0.37) CNR1DRD2ITGB3ITGA2BGABRA1
SCHEMBL7318850 0.89 ITGB3 (0.45) CNR1DRD2ITGB3ITGA2BGABRA1
SCHEMBL7329405 0.86 ITGB3 (0.44) CNR1DRD2ITGB3ITGA2BGABRA1
SCHEMBL7330041 0.85 DRD2 (0.39) CNR1DRD2TPSAB1TPSD1TPSG1
SCHEMBL7331158 0.85 DRD2 (0.39) CNR1DRD2TPSAB1TPSD1TPSG1
SCHEMBL9318037 0.85 ITGB3 (0.44) DRD2ITGB3ITGA2BGABRA1GABRG2
SCHEMBL7319470 0.80 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3

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