SCHEMBL1503280

SCHEMBL1503280

Cn1c(=O)n(CC(C)(C)C)c2c(N3CC4CC(C3)N(C(=O)OC(C)(C)C)C4)ccnc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.49
DPP4 P27487 10/20 0.38
HSD11B1 P28845 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6891374 0.80 GRM2 (0.71) GRM2CYP3A4
SCHEMBL6890267 0.70 GRM2 (0.86) GRM2CYP3A4
SCHEMBL25214928 0.70 HSD11B1 (0.39) HSD11B1
SCHEMBL30599728 0.70 HSD11B1 (0.39) HSD11B1
SCHEMBL1503056 0.69 GRM2 (0.64) GRM2CYP3A4
SCHEMBL1502959 0.66 GRM2 (1.00) GRM2CYP3A4
SCHEMBL12517589 0.65 DPP4 (0.70) DPP4
SCHEMBL1503111 0.64 GRM2 (0.67) GRM2CYP3A4
SCHEMBL1502986 0.64 GRM2 (0.67) GRM2CYP3A4
SCHEMBL31208799 0.64 HSD11B1 (0.45) HSD11B1

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 claimed