SCHEMBL7698696

SCHEMBL7698696

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VCP P55072 13/20 0.41
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR3 P51677 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAP3K5 Q99683 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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 0.87 VCP (0.42) VCP
SCHEMBL7698442 0.81 CCR3 (0.36) VCPCCR3MAPK14MAP3K5
SCHEMBL7700580 0.79 VCP (0.40) VCP
SCHEMBL7699300 0.78 VCP (0.45) VCPMAPK14MEN1KMT2A
SCHEMBL7703510 0.78 VCP (0.41) VCP
SCHEMBL6610284 0.76 VCP (0.39) VCP
SCHEMBL7704382 0.76 VCP (0.37) VCP
SCHEMBL7459618 0.76 VCP (0.54) VCP
SCHEMBL7702827 0.75 VCP (0.45) VCP
SCHEMBL7703665 0.74 VCP (0.36) VCPCCR3

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