SCHEMBL1503028

SCHEMBL1503028

Cn1nc(C(F)(F)F)c2c1CCN(c1ccc3c(n1)n(C)c(=O)n3CC(C)(C)C)C2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.58
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
SCHEMBL15168826 0.75 GRM2 (0.56) GRM2PTAFRHTR2B
SCHEMBL1502967 0.75 GRM2 (1.00) GRM2
SCHEMBL6890181 0.74 GRM2 (0.77) GRM2
SCHEMBL15168135 0.70 GRM2 (0.56) GRM2PTAFRHTR2B
SCHEMBL6891776 0.70 GRM2 (0.75) GRM2PTAFRHTR2B
SCHEMBL6892091 0.69 GRM2 (0.61) GRM2
SCHEMBL6891434 0.69 GRM2 (0.56) GRM2
SCHEMBL6892056 0.69 GRM2 (0.71) GRM2
SCHEMBL6893780 0.69 GRM2 (0.61) GRM2
SCHEMBL6891170 0.68 GRM2 (0.67) GRM2

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