SCHEMBL7329048

SCHEMBL7329048

COC(=O)C(C)CN1CC(=O)N(C)c2ccc(I)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
MDM2 Q00987 7/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
P2RX3 P56373 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP2 P42575 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL8959454 0.88 CASP3 (0.44) CASP3PRMT5WDR77ITGB3ITGA2B
SCHEMBL7331730 0.79 CTSL (0.42) PRMT5WDR77
SCHEMBL7325381 0.77 ITGB3 (0.46) CASP3ITGB3ITGA2BGABRA1GABRG2
SCHEMBL7323774 0.73 ITGB3 (0.40) PRMT5WDR77ITGB3ITGA2BGABRA1
SCHEMBL7329841 0.73 ITGB3 (0.44) CASP3PRMT5WDR77ITGB3ITGA2B
SCHEMBL7319919 0.72 ITGB3 (0.48) CASP3ITGB3ITGA2BMDM2GABRA1
SCHEMBL7323919 0.69 ITGB3 (0.34) PRMT5WDR77ITGB3ITGA2BGABRA1
SCHEMBL7357974 0.68 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7322279 0.67 MEN1 (0.40) CASP3ITGB3ITGA2BMDM2POLB
SCHEMBL7332526 0.65 ITGB3 (0.46) 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 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-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