SCHEMBL7328382

SCHEMBL7328382

CCOC(=O)CCN1CC(=O)N(C)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NAMPT P43490 3/20 0.40
ITGA2 P17301 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL7332811 0.91 CNR1 (0.42) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL9317652 0.90 ITGB3 (0.45) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL7326457 0.87 ITGB3 (0.56) ITGB3ITGA2BITGA2L3MBTL1
Acetic Acid SCHEMBL7331206 0.85 ITGB3 (0.56) ITGB3ITGA2BALDH1A1KDM4EITGA2
SCHEMBL7326953 0.85 ITGB3 (0.58) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7395413 0.84 MAPT (0.43) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL9317827 0.84 ITGB3 (0.42) ITGB3ITGA2BALDH1A1MEN1KMT2A
SCHEMBL8837011 0.83 ITGB3 (0.40) ITGB3ITGA2BLMNAALDH1A1SMN1; SMN2
SCHEMBL7405127 0.83 MAPT (0.42) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL7330253 0.82 ITGB3 (0.49) ITGB3ITGA2BITGA2MEN1KMT2A

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