SCHEMBL7700580

SCHEMBL7700580

CC(C)(C)OC(=O)Nc1cc(OC(C)(C)C)c(-c2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-c2ncc[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VCP P55072 16/20 0.40
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 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
SCHEMBL7702841 0.92 VCP (0.42) VCP
SCHEMBL7702827 0.91 VCP (0.45) VCP
SCHEMBL7704382 0.88 VCP (0.37) VCPKCNQ4KCNQ5
SCHEMBL7465214 0.84 VCP (0.45) VCPKCNQ4KCNQ5
SCHEMBL7703166 0.82 VCP (0.34) VCP
SCHEMBL7703510 0.82 VCP (0.41) VCP
SCHEMBL7145884 0.82 KCNQ4 (0.39) KCNQ4KCNQ5
SCHEMBL7141292 0.81 MAPT (0.36) KCNQ4KCNQ5
SCHEMBL6868921 0.81 MRGPRX4 (0.39) VCP
SCHEMBL7139867 0.81 KEAP1 (0.35) KCNQ4KCNQ5

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