SCHEMBL1503111

SCHEMBL1503111

C[C@@H]1CN(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 0.67
MAP4K4 O95819 1/20 0.51
CYP3A4 P08684 1/20 0.47
HDAC1 Q13547 1/20 0.46

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
SCHEMBL1502986 1.00 GRM2 (0.67) GRM2MAP4K4CYP3A4HDAC1
SCHEMBL1503048 0.85 GRM2 (0.68) GRM2MAP4K4CYP3A4
SCHEMBL6891374 0.83 GRM2 (0.71) GRM2CYP3A4
SCHEMBL1503056 0.81 GRM2 (0.64) GRM2CYP3A4
SCHEMBL14316598 0.81 GRM2 (0.60) GRM2
SCHEMBL6892456 0.81 GRM2 (0.63) GRM2CYP3A4
SCHEMBL1503001 0.80 GRM2 (0.58) GRM2CYP3A4
SCHEMBL6890267 0.80 GRM2 (0.86) GRM2CYP3A4HDAC1
SCHEMBL1502959 0.80 GRM2 (1.00) GRM2CYP3A4HDAC1
SCHEMBL6893152 0.78 GRM2 (0.61) GRM2MAP4K4

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