SCHEMBL3834028

SCHEMBL3834028

Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2N2CCC(C)CC2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.58
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CES2 O00748 1/20 0.48
THRB P10828 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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) GRM5LMNATP53CES2THRB
SCHEMBL3836518 0.90 GRM5 (0.57) GRM5CES2
SCHEMBL3832229 0.89 GRM5 (0.60) GRM5TP53CES2
SCHEMBL3834589 0.89 GRM5 (0.58) GRM5LMNATP53CES2THRB
SCHEMBL13677021 0.88 GRM5 (0.70) GRM5CES2
SCHEMBL13677018 0.88 GRM5 (0.61) GRM5TP53CES2
SCHEMBL3836170 0.88 GRM5 (0.69) GRM5CES2
SCHEMBL3832691 0.88 GRM5 (0.61) GRM5CES2
SCHEMBL13677017 0.87 GRM5 (0.65) GRM5CES2
SCHEMBL13677019 0.87 GRM5 (0.71) GRM5LMNATP53CES2THRB

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