SCHEMBL3830976

SCHEMBL3830976

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.59
CES2 O00748 1/20 0.51
HTR6 P50406 5/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
THRB P10828 1/20 0.45
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 1/20 0.41

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
SCHEMBL3831529 0.90 GRM5 (0.60) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL3834912 0.90 GRM5 (0.67) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL3835283 0.89 GRM5 (0.59) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL3836709 0.89 GRM5 (0.60) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL3835262 0.88 GRM5 (0.72) GRM5CES2HTR6HTR2A
SCHEMBL3837297 0.87 CES2 (0.64) GRM5CES2POLBADRB2
SCHEMBL3832742 0.86 GRM5 (0.62) GRM5CES2SMN1; SMN2ADRB2
SCHEMBL3834589 0.85 GRM5 (0.58) GRM5CES2THRBPOLBADRB2
SCHEMBL3836529 0.85 GRM5 (0.55) GRM5CES2HTR6HTR1AHTR2A
SCHEMBL13677006 0.84 GRM5 (0.83) GRM5CES2HTR6HTR1AHTR2A

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