SCHEMBL3835283

SCHEMBL3835283

CC1CCN(c2c(S(=O)(=O)c3cccc(Cl)c3)cnc3c(F)cccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.59
CES2 O00748 1/20 0.50
HTR6 P50406 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
THRB P10828 1/20 0.44

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
SCHEMBL13677015 0.93 GRM5 (0.60) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL3832691 0.91 GRM5 (0.61) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL13677020 0.90 GRM5 (0.66) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL13677021 0.90 GRM5 (0.70) GRM5CES2HTR6HTR2A
SCHEMBL3836518 0.90 GRM5 (0.57) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL3836170 0.90 GRM5 (0.69) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL3830976 0.89 GRM5 (0.59) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL13677019 0.89 GRM5 (0.71) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL13677017 0.87 GRM5 (0.65) GRM5CES2
SCHEMBL3834028 0.86 GRM5 (0.58) GRM5CES2THRB

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