SCHEMBL7328657

SCHEMBL7328657

CCOC(=O)CC(C)N1CC(=O)N(Cc2ccccc2)c2ccc(CCc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
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
FFAR1 O14842 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL7328359 0.91 ITGB3 (0.43) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7334703 0.91 MAPT (0.39) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7357140 0.90 MAPT (0.37) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7324345 0.89 GRM5 (0.36) MAPTALDH1A1ITGB3ITGA2BGABRA1
SCHEMBL7330255 0.89 ITGB3 (0.45) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330796 0.88 GABRA1 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330135 0.88 MAPT (0.40) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7323709 0.83 MAPT (0.39) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7328993 0.83 MAPT (0.39) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7323174 0.82 MAPT (0.38) MAPTPKMALDH1A1MAPK1NPSR1

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