SCHEMBL1503219

SCHEMBL1503219

CCOC(=O)c1nnc2n1CCN(c1ccc3c(n1)n(C)c(=O)n3CC(C)(C)C)C2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.55
CYP3A4 P08684 1/20 0.40
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
SCHEMBL6892948 0.85 GRM2 (0.56) GRM2CYP3A4
SCHEMBL15168586 0.76 GRM2 (0.53) GRM2PTAFRHTR2B
SCHEMBL1503048 0.72 GRM2 (0.68) GRM2CYP3A4
SCHEMBL1502967 0.72 GRM2 (1.00) GRM2
SCHEMBL2393697 0.70 DPP4 (0.44) CYP3A4
SCHEMBL1502983 0.70 GRM2 (0.65) GRM2CYP3A4PTAFRHTR2B
SCHEMBL6890181 0.69 GRM2 (0.77) GRM2
SCHEMBL6891457 0.69 GRM2 (0.72) GRM2CYP3A4
SCHEMBL6891434 0.69 GRM2 (0.56) GRM2
SCHEMBL6894419 0.69 GRM2 (0.83) 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 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