SCHEMBL7873622

SCHEMBL7873622

Cc1cc(C#N)cc(C2CCCc3oc(-c4ccc(F)cn4)nc3C2)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.49
KCNH2 Q12809 3/20 0.39

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
SCHEMBL505113 0.92 GRM5 (0.56) GRM5KCNH2
SCHEMBL10250748 0.89 GRM5 (0.45) GRM5KCNH2
SCHEMBL505079 0.86 GRM5 (0.57) GRM5KCNH2
SCHEMBL505510 0.84 GRM5 (0.54) GRM5KCNH2
SCHEMBL10250213 0.84 GRM5 (0.44) GRM5KCNH2
SCHEMBL10250319 0.83 GRM5 (0.47) GRM5KCNH2
SCHEMBL10250755 0.81 GRM5 (0.43) GRM5KCNH2
SCHEMBL506158 0.80 GRM5 (0.61) GRM5
SCHEMBL505123 0.80 GRM5 (0.47) GRM5KCNH2
SCHEMBL505150 0.79 GRM5 (0.49) 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