SCHEMBL1503094

SCHEMBL1503094

Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCC4(CCN(C(=O)OC(C)(C)C)C4)C3)nc21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.60
RET P07949 4/20 0.43
EIF2AK4 Q9P2K8 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP11B2 P19099 1/20 0.41

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
SCHEMBL6894481 0.96 GRM2 (0.61) GRM2RETEIF2AK4CYP3A4
SCHEMBL1503026 0.93 GRM2 (0.59) GRM2RETEIF2AK4CYP3A4
SCHEMBL1502940 0.90 GRM2 (0.64) GRM2CYP3A4
SCHEMBL1502978 0.86 GRM2 (0.59) GRM2CYP3A4
SCHEMBL1503048 0.84 GRM2 (0.68) GRM2CYP3A4
SCHEMBL6894118 0.83 GRM2 (0.61) GRM2CYP3A4
SCHEMBL6889762 0.83 GRM2 (0.60) GRM2CYP3A4
SCHEMBL1502955 0.82 GRM2 (0.54) GRM2CYP3A4
SCHEMBL6891394 0.81 GRM2 (0.70) GRM2CYP3A4
SCHEMBL1503001 0.81 GRM2 (0.58) 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 disclosed
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO disclosed