SCHEMBL7322816

SCHEMBL7322816

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(C)c2ccc(CCc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
TNF P01375 1/20 0.36
FFAR1 O14842 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPT P10636 2/20 0.35
F10 P00742 1/20 0.34
POLB P06746 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL7334703 0.91 MAPT (0.39) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL7324239 0.91 MEN1 (0.37) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL7327008 0.91 TNF (0.37) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL7320773 0.89 ITGB3 (0.47) MEN1KMT2AITGB3ITGA2BGABRA1
SCHEMBL7354786 0.89 ITGB3 (0.36) MEN1KMT2AITGB3ITGA2BGABRA1
SCHEMBL7330255 0.89 ITGB3 (0.45) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7327913 0.87 MEN1 (0.38) MEN1KMT2AITGB3ITGA2BGABRA1
SCHEMBL7331638 0.82 MDM2 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7323709 0.81 MAPT (0.39) MEN1KMT2AITGB3ITGA2BGABRA1
SCHEMBL7328657 0.81 MAPT (0.40) KMT2AITGB3ITGA2BGABRA1GABRG2

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