SCHEMBL7327357

SCHEMBL7327357

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(C(C)C)c2ccc(CCCC(S)NC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 6/20 0.33
MMP3 P08254 3/20 0.33
MMP9 P14780 3/20 0.33
MMP14 P50281 3/20 0.33
MMP13 P45452 2/20 0.33
CTSK P43235 2/20 0.33
CXCR3 P49682 2/20 0.32
MMP1 P03956 2/20 0.32
BMP1 P13497 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL7331888 0.92 SCN9A (0.35) SCN9AMEN1KMT2ACTSKCXCR3
SCHEMBL7330816 0.91 MEN1 (0.33) SCN9AMEN1KMT2AMMP2MMP3
SCHEMBL7327778 0.90 GABRA1 (0.33) SCN9A
SCHEMBL7332919 0.90 HDAC1 (0.34) SCN9AMEN1KMT2ACTSKCXCR3
SCHEMBL7322514 0.88 UTS2R (0.37) MEN1KMT2ACXCR3UTS2RMAPT
SCHEMBL7330548 0.85 SCN9A (0.34) SCN9ACTSKCXCR3
SCHEMBL7325148 0.84 ITGB3 (0.32) SCN9ACTSK
SCHEMBL7330420 0.83 HDAC1 (0.34) SCN9ACTSK
SCHEMBL7321764 0.83 MEN1 (0.37) MEN1KMT2AUTS2RMAPT
SCHEMBL7330995 0.82 ITGB3 (0.38) SCN9A

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