SCHEMBL7703166

SCHEMBL7703166

CC(C)(C)OC(=O)Nc1cc(N2CCOC2=O)c(-c2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-c2ncc[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCP P55072 6/20 0.34
CCR3 P51677 1/20 0.34
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
BACE1 P56817 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
RIPK3 Q9Y572 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCRTR1 O43613 1/20 0.32
ABL1 P00519 1/20 0.31
SCN9A Q15858 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL7698442 0.90 CCR3 (0.36) VCPCCR3ELOVL6HCRTR1
SCHEMBL7141955 0.84 KDM4D (0.36) CCR3BACE1ABL1
SCHEMBL7703659 0.83 UCHL1 (0.36) VCPCCR3UCHL1USP30BACE1
SCHEMBL7700580 0.82 VCP (0.40) VCP
SCHEMBL7704382 0.81 VCP (0.37) VCPELOVL6
SCHEMBL7702827 0.80 VCP (0.45) VCP
SCHEMBL7465214 0.77 VCP (0.45) VCP
SCHEMBL7145400 0.76 HDAC2 (0.43) ABL1RORC
SCHEMBL7702841 0.75 VCP (0.42) VCP
SCHEMBL7703665 0.74 VCP (0.36) VCPCCR3UCHL1USP30HCRTR1

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