SCHEMBL6919090

SCHEMBL6919090

CN(c1cccnc1)c1cc(F)cc(C(=O)NC(=N)S)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.44
RAB9A P51151 2/20 0.38
AGTR1 P30556 1/20 0.37
OPRK1 P41145 1/20 0.37
CSF1R P07333 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6919092 0.77 GRM5 (0.55) GRM5RAB9AKDM4EALDH1A1LMNA
SCHEMBL6918338 0.75 GRM5 (0.78) GRM5RAB9AGAAKDM4ELMNA
SCHEMBL6919206 0.72 GRM5 (0.59) GRM5KDM4EALDH1A1LMNA
SCHEMBL12411963 0.71 GRM5 (0.60) GRM5CSF1RLMNA
SCHEMBL12412759 0.70 GRM5 (0.77) GRM5RAB9ACSF1RGAAPOLB
SCHEMBL12830299 0.70 GRM5 (0.59) GRM5CSF1RCYP11B1CYP11B2ALDH1A1
SCHEMBL12412756 0.70 GRM5 (0.66) GRM5CSF1R
SCHEMBL6918563 0.70 GRM5 (0.57) GRM5
SCHEMBL12412757 0.68 GRM5 (0.79) GRM5CSF1RCYP11B1CYP11B2
SCHEMBL12411975 0.68 GRM5 (0.64) GRM5CSF1R

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
WO-2011035209-A1 SUBSTITUTED BENZAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSTIY (US) 2011-03-24 WO disclosed