SCHEMBL3834589

SCHEMBL3834589

Cc1ccc(S(=O)(=O)c2cnc3c(C)cccc3c2N2CCC(C)CC2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.58
CES2 O00748 1/20 0.48
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 2/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 1/20 0.40
ADRB2 P07550 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3833949 0.94 GRM5 (0.58) GRM5CES2TP53LMNATHRB
SCHEMBL3836709 0.90 GRM5 (0.60) GRM5CES2TP53LMNATHRB
SCHEMBL3835262 0.89 GRM5 (0.72) GRM5CES2
SCHEMBL3831529 0.89 GRM5 (0.60) GRM5CES2TP53LMNATHRB
SCHEMBL3834028 0.89 GRM5 (0.58) GRM5CES2TP53LMNATHRB
SCHEMBL3832742 0.87 GRM5 (0.62) GRM5CES2TP53LMNAADRB2
SCHEMBL3836518 0.86 GRM5 (0.57) GRM5CES2POLB
SCHEMBL3830976 0.85 GRM5 (0.59) GRM5CES2THRBADRB2POLB
SCHEMBL3834912 0.85 GRM5 (0.67) GRM5CES2TP53LMNATHRB
SCHEMBL3837297 0.84 CES2 (0.64) GRM5CES2TP53LMNAMAPT

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