SCHEMBL6891800

SCHEMBL6891800

CCOC(=O)C1CCCN(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)C1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.63
CYP3A4 P08684 1/20 0.49
SHMT2 P34897 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.43

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
SCHEMBL6890122 0.88 GRM2 (0.69) GRM2CYP3A4
SCHEMBL6891830 0.84 GRM2 (0.45) GRM2SHMT2ALDH1A1SMN1; SMN2TP53
SCHEMBL1502983 0.81 GRM2 (0.65) GRM2CYP3A4
Hydrochloric Acid SCHEMBL1502962 0.81 GRM2 (0.59) GRM2CYP3A4
SCHEMBL6893152 0.79 GRM2 (0.61) GRM2
SCHEMBL1503074 0.79 GRM2 (0.63) GRM2CYP3A4
SCHEMBL1502967 0.78 GRM2 (1.00) GRM2
SCHEMBL6893180 0.78 GRM2 (0.59) GRM2CYP3A4
SCHEMBL6891474 0.76 GRM2 (0.62) GRM2CYP3A4
SCHEMBL6894419 0.76 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 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 disclosed