SCHEMBL7332811

SCHEMBL7332811

CCOC(=O)CCN1CC(=O)N(C)c2ccc(NC(=O)c3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
NAMPT P43490 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRAF P15056 2/20 0.39
MAPK14 Q16539 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
RAF1 P04049 1/20 0.39
ITGA2 P17301 1/20 0.38
CCR2 P41597 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL7328382 0.91 ITGB3 (0.47) NAMPTITGB3ITGA2BL3MBTL1MEN1
SCHEMBL9317827 0.88 ITGB3 (0.42) ITGB3ITGA2BL3MBTL1MEN1KMT2A
SCHEMBL7330253 0.86 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2AITGA2
SCHEMBL9317652 0.84 ITGB3 (0.45) NAMPTITGB3ITGA2BLMNAMAPT
SCHEMBL7326457 0.82 ITGB3 (0.56) ITGB3ITGA2BL3MBTL1ITGA2
SCHEMBL8837011 0.81 ITGB3 (0.40) ITGB3ITGA2BLMNAITGA2
Acetic Acid SCHEMBL7331206 0.80 ITGB3 (0.56) ITGB3ITGA2BITGA2
SCHEMBL7326953 0.79 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7331720 0.78 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL9317817 0.78 ITGB3 (0.51) ITGB3ITGA2BMAPT

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