SCHEMBL6891776

SCHEMBL6891776

Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCc4ccc(C(F)(F)F)cc43)nc21

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 19/20 0.75
CREBBP Q92793 1/20 0.47
PTAFR P25105 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL6890740 0.85 GRM2 (1.00) GRM2CREBBP
SCHEMBL6890739 0.83 GRM2 (0.77) GRM2CREBBPPTAFRHTR2B
SCHEMBL1502966 0.80 GRM2 (0.69) GRM2PTAFRHTR2B
SCHEMBL6894288 0.78 GRM2 (0.75) GRM2PTAFRHTR2B
SCHEMBL6893142 0.77 GRM2 (0.74) GRM2
SCHEMBL1502967 0.73 GRM2 (1.00) GRM2
SCHEMBL14857353 0.70 GRM2 (0.71) GRM2PTAFRHTR2B
SCHEMBL6892275 0.70 GRM2 (0.69) GRM2CREBBP
SCHEMBL6892158 0.70 GRM2 (0.71) GRM2
SCHEMBL1503028 0.70 GRM2 (0.58) GRM2PTAFRHTR2B

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