SCHEMBL7703659

SCHEMBL7703659

CC(C)(C)OC(=O)Nc1cc(N2CCC(OC3CCCCO3)CC2)c(-c2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-c2ncc[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.36
USP30 Q70CQ3 1/20 0.36
VCP P55072 7/20 0.34
CCR3 P51677 1/20 0.34
BACE1 P56817 1/20 0.33
HCRTR1 O43613 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
F11 P03951 2/20 0.32
KLKB1 P03952 2/20 0.32
MCHR1 Q99705 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7703665 0.87 VCP (0.36) UCHL1USP30VCPCCR3HCRTR1
SCHEMBL7141841 0.85 KDM4D (0.35) CCR3BACE1
SCHEMBL7703166 0.83 VCP (0.34) UCHL1USP30VCPCCR3BACE1
SCHEMBL7143444 0.83 KDM4D (0.35) CCR3
SCHEMBL7145195 0.80 KDM4D (0.34) CCR3
SCHEMBL7700580 0.79 VCP (0.40) VCP
SCHEMBL7145608 0.78 HDAC2 (0.42)
SCHEMBL7704382 0.77 VCP (0.37) VCP
SCHEMBL7702827 0.76 VCP (0.45) VCP
SCHEMBL7142542 0.75 ALDH1A1 (0.35) MAPT

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