SCHEMBL6890581

SCHEMBL6890581

Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CC4CCC3CN4C(=O)c3ccc(C(F)(F)F)cc3F)nc21

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.68
CYP3A4 P08684 1/20 0.65
PTAFR P25105 1/20 0.40
HTR2B P41595 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
SCHEMBL6892956 0.94 GRM2 (0.68) GRM2CYP3A4PTAFRHTR2B
SCHEMBL6889558 0.91 GRM2 (0.71) GRM2CYP3A4
Trifluoroacetic Acid SCHEMBL1503212 0.89 GRM2 (0.69) GRM2CYP3A4
SCHEMBL6891870 0.87 GRM2 (0.71) GRM2CYP3A4
SCHEMBL6892635 0.87 GRM2 (0.71) GRM2CYP3A4PTAFRHTR2B
SCHEMBL6891964 0.85 GRM2 (0.73) GRM2CYP3A4
Trifluoroacetic Acid SCHEMBL1503013 0.85 GRM2 (0.69) GRM2CYP3A4
Trifluoroacetic Acid SCHEMBL1503304 0.85 GRM2 (0.69) GRM2CYP3A4
SCHEMBL6891418 0.84 GRM2 (0.72) GRM2CYP3A4PTAFRHTR2B
SCHEMBL6891351 0.84 GRM2 (0.77) GRM2CYP3A4

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-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO disclosed