SCHEMBL7355386

SCHEMBL7355386

C=CCN1C(=O)CN(CCC(=O)OCC)C(=O)c2cc(O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 4/20 0.37
GABRA1 P14867 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
TNF P01375 2/20 0.37
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CREBBP Q92793 1/20 0.35
GABRA6 Q16445 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL7363500 0.89 ALDH1A1 (0.41) ALDH1A1GABRG2GABRB3GABRA5GABRA1
SCHEMBL7363847 0.87 CREBBP (0.41) ALDH1A1GABRG2GABRB3GABRA5GABRA1
SCHEMBL7353647 0.86 MAPT (0.39) ALDH1A1GABRG2GABRB3GABRA5GABRA1
SCHEMBL7424967 0.85 ALDH1A1 (0.41) ALDH1A1GABRG2GABRB3GABRA5GABRA1
SCHEMBL7332526 0.84 ITGB3 (0.46) ALDH1A1GABRG2GABRB3GABRA5GABRA1
SCHEMBL7419551 0.83 ALDH1A1 (0.41) ALDH1A1GABRG2GABRB3GABRA5GABRA1
SCHEMBL7321392 0.81 TNF (0.38) ALDH1A1GABRG2GABRB3GABRA5GABRA1
SCHEMBL7332949 0.80 ALDH1A1 (0.44) ALDH1A1TNFKDM4EGLAGAA
SCHEMBL7353435 0.78 MAPT (0.34) ALDH1A1GABRG2GABRB3GABRA5GABRA1
SCHEMBL8837288 0.76 ITGB3 (0.43) ITGB3ITGA2BKMT2A

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