SCHEMBL6891803

SCHEMBL6891803

Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCC(c4nc5ccccc5[nH]4)C3)nc21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.59
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.41
PRKDC P78527 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
SCHEMBL6893676 0.84 GRM2 (0.67) GRM2CYP3A4
SCHEMBL15168234 0.78 GRM2 (0.54) GRM2
SCHEMBL6891474 0.77 GRM2 (0.62) GRM2CYP3A4
SCHEMBL6892975 0.77 GRM2 (0.70) GRM2CYP3A4
SCHEMBL6890122 0.76 GRM2 (0.69) GRM2CYP3A4
SCHEMBL1502967 0.76 GRM2 (1.00) GRM2
SCHEMBL6892056 0.75 GRM2 (0.71) GRM2CYP3A4
SCHEMBL6891800 0.74 GRM2 (0.63) GRM2CYP3A4
SCHEMBL6893243 0.74 GRM2 (0.60) GRM2CYP3A4
Hydrochloric Acid SCHEMBL1502962 0.73 GRM2 (0.59) 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