SCHEMBL7327008

SCHEMBL7327008

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
MAPT P10636 2/20 0.34
F10 P00742 1/20 0.33
POLB P06746 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
FNTA P49354 1/20 0.32

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
SCHEMBL7322816 0.91 MEN1 (0.38) TNFMEN1KMT2AFFAR1SLC6A2
SCHEMBL7330796 0.90 GABRA1 (0.36) TNFFFAR1GABRA1GABRG2GABRB3
SCHEMBL7324239 0.89 MEN1 (0.37) TNFMEN1KMT2AFFAR1SLC6A2
SCHEMBL7334703 0.89 MAPT (0.39) TNFMEN1KMT2AFFAR1SLC6A2
SCHEMBL7329950 0.89 ITGB3 (0.39) TNFMEN1KMT2AGABRA1GABRG2
SCHEMBL7357194 0.89 MEN1 (0.34) TNFMEN1KMT2AGABRA1GABRG2
SCHEMBL7324977 0.87 MEN1 (0.37) MEN1KMT2AMAPTF10POLB
SCHEMBL7318695 0.83 TNF (0.36) TNFFFAR1SLC6A2SLC6A4F10
SCHEMBL7328657 0.81 MAPT (0.40) KMT2AFFAR1GABRA1GABRG2GABRB3
SCHEMBL7324345 0.81 GRM5 (0.36) KMT2AFFAR1GABRA1GABRG2GABRB3

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-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
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