SCHEMBL7325524

SCHEMBL7325524

CCOC(=O)CC(C)N1CC(=O)N(C(C)C)c2ccc(I)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
ALDH1A1 P00352 2/20 0.35
DPP7 Q9UHL4 1/20 0.34
GABRA1 P14867 5/20 0.32
GABRG2 P18507 5/20 0.32
GABRB3 P28472 5/20 0.32
GABRA5 P31644 5/20 0.32
GABRA3 P34903 5/20 0.32
GABRA2 P47869 5/20 0.32
GABRA6 Q16445 3/20 0.32
PIN1 Q13526 1/20 0.32
PIN4 Q9Y237 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CASP3 P42574 1/20 0.32
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HTT P42858 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
SCHEMBL7319919 0.89 ITGB3 (0.48) ITGB3ITGA2BALDH1A1DPP7GABRA1
SCHEMBL7334373 0.87 MEN1 (0.39) ALDH1A1NPSR1MAPTHTTLMNA
SCHEMBL7330180 0.84 KMT2A (0.38) ITGB3ITGA2BALDH1A1CASP3GAA
SCHEMBL7328993 0.83 MAPT (0.39) ITGB3ITGA2BALDH1A1NPSR1PKM
SCHEMBL7322812 0.81 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7324497 0.81 ITGB3 (0.46) ITGB3ITGA2BALDH1A1GABRA1GABRG2
SCHEMBL7334375 0.80 ITGB3 (0.35) ITGB3ITGA2BALDH1A1GABRA1GABRG2
SCHEMBL7329534 0.80 ITGB3 (0.42) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330796 0.79 GABRA1 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7361895 0.76 ITGB3 (0.34) 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 9 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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed