SCHEMBL7704529

SCHEMBL7704529

COC1CCN(c2cc(NC(=O)O)c(NC(=O)CC(=O)c3cccc(-c4ncc[nH]4)c3)cc2C#Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
VCP P55072 18/20 0.46

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
SCHEMBL7704508 0.85 GPR6 (0.38)
SCHEMBL7700514 0.80 VCP (0.59) VCP
SCHEMBL7459618 0.79 VCP (0.54) VCP
SCHEMBL7141549 0.77 RORC (0.37)
SCHEMBL7139792 0.75 KDM4D (0.36)
SCHEMBL7703096 0.72 VCP (0.42) VCP
SCHEMBL7703665 0.71 VCP (0.36) VCP
SCHEMBL7699300 0.69 VCP (0.45) VCP
SCHEMBL7465214 0.68 VCP (0.45) VCP
SCHEMBL7703613 0.67 VCP (0.47) VCP

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-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed