SCHEMBL7422331

SCHEMBL7422331

C=CCc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)OCC)CC(=O)N2CC=C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8837288 0.87 ITGB3 (0.43) KMT2AITGB3ITGA2B
SCHEMBL7328382 0.77 ITGB3 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7355386 0.76 ALDH1A1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7332811 0.75 CNR1 (0.42) L3MBTL1MAPTKMT2AITGB3ITGA2B
SCHEMBL7363847 0.74 CREBBP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9317652 0.74 ITGB3 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7353647 0.73 MAPT (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9317827 0.72 ITGB3 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7353435 0.70 MAPT (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7328381 0.69 MAOB (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3

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