SCHEMBL7880643

SCHEMBL7880643

Clc1cccc(N2CCc3oc(-c4ccccn4)nc3C2)c1C1CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.61
KCNH2 Q12809 2/20 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
SCHEMBL504862 0.89 GRM5 (0.72) GRM5KCNH2
SCHEMBL504810 0.88 GRM5 (0.68) GRM5KCNH2
SCHEMBL505072 0.83 GRM5 (0.71) GRM5KCNH2
SCHEMBL504823 0.82 GRM5 (0.63) GRM5KCNH2
SCHEMBL10253715 0.82 GRM5 (0.65) GRM5KCNH2
SCHEMBL505228 0.81 GRM5 (0.71) GRM5KCNH2
SCHEMBL505324 0.81 GRM5 (0.67) GRM5KCNH2
SCHEMBL506040 0.80 GRM5 (0.69) GRM5KCNH2
SCHEMBL505420 0.80 GRM5 (0.72) GRM5KCNH2
SCHEMBL504752 0.80 GRM5 (0.65) GRM5KCNH2

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-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed