SCHEMBL3835262

SCHEMBL3835262

Cc1cccc2c(N3CCC(C)CC3)c(S(=O)(=O)c3cccc(F)c3)cnc12

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.72
CES2 O00748 1/20 0.51
HTR6 P50406 7/20 0.43
HTR2A P28223 2/20 0.43

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
SCHEMBL13677021 0.91 GRM5 (0.70) GRM5CES2HTR6HTR2A
SCHEMBL3834589 0.89 GRM5 (0.58) GRM5CES2
SCHEMBL3830976 0.88 GRM5 (0.59) GRM5CES2HTR6HTR2A
SCHEMBL3836709 0.87 GRM5 (0.60) GRM5CES2HTR6HTR2A
SCHEMBL3837297 0.87 CES2 (0.64) GRM5CES2
SCHEMBL3831529 0.86 GRM5 (0.60) GRM5CES2HTR6HTR2A
SCHEMBL3832742 0.86 GRM5 (0.62) GRM5CES2
SCHEMBL13676960 0.84 GRM5 (0.87) GRM5CES2HTR6HTR2A
SCHEMBL13677017 0.84 GRM5 (0.65) GRM5CES2
SCHEMBL3834912 0.84 GRM5 (0.67) GRM5CES2HTR6HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP claimed