SCHEMBL7354786

SCHEMBL7354786

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(C)c2ccc(CCc3cc(C#N)cs3)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
MAPT P10636 1/20 0.32
F2 P00734 2/20 0.31
F10 P00742 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TMEM97 Q5BJF2 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL8842910 0.91 MEN1 (0.34) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL7357194 0.91 MEN1 (0.34) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL7359434 0.91 MAPT (0.36) ITGB3ITGA2BMEN1KMT2AGABRA1
SCHEMBL7355898 0.89 ITGB3 (0.43) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7322816 0.89 MEN1 (0.38) ITGB3ITGA2BMEN1KMT2AGABRA1
SCHEMBL7354809 0.84 ITGB3 (0.34) ITGB3ITGA2BF2F10
SCHEMBL7327913 0.83 MEN1 (0.38) ITGB3ITGA2BMEN1KMT2AGABRA1
SCHEMBL7363260 0.83 ITGB3 (0.34) ITGB3ITGA2BMEN1KMT2AGABRA1
SCHEMBL7357140 0.82 MAPT (0.37) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7320773 0.81 ITGB3 (0.47) ITGB3ITGA2BMEN1KMT2AGABRA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 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
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed