SCHEMBL7462019

SCHEMBL7462019

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C#N)cc2)cc1NC(=O)CC(=O)c1cccc(-c2ncc[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VCP P55072 16/20 0.41
EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL5869030 0.86 GSK3B (0.40) EGLN2
SCHEMBL7465214 0.85 VCP (0.45) VCP
SCHEMBL5869023 0.83 HDAC1 (0.42)
SCHEMBL5868787 0.83 HDAC1 (0.42)
SCHEMBL7558106 0.82 HCRTR1 (0.37) VCP
SCHEMBL7467127 0.82 VCP (0.42) VCP
SCHEMBL5868972 0.81 MAPK14 (0.44) EGLN2
SCHEMBL5869064 0.81 GSK3B (0.39) EGLN2
SCHEMBL5869010 0.80 KCNQ4 (0.45) EGLN2
SCHEMBL5868798 0.80 LMNA (0.41) EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed