SCHEMBL1502993

SCHEMBL1502993

Cn1c(=O)n(CC2(C)CC2(F)F)c2ccc(N3CC(N(C(=O)O)C(C)(C)C)Cc4ccccc43)nc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.46
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL1503116 0.86 GRM2 (0.61) GRM2CYP3A4
SCHEMBL1502949 0.86 GRM2 (0.61) GRM2CYP3A4
SCHEMBL1503163 0.86 GRM2 (0.61) GRM2CYP3A4
SCHEMBL6892790 0.81 GRM2 (0.45) GRM2
SCHEMBL1503003 0.76 GRM2 (0.60) GRM2CYP3A4
SCHEMBL1502937 0.69 GRM2 (0.69) GRM2CYP3A4
SCHEMBL6890927 0.69 GRM2 (0.75) GRM2CYP3A4
SCHEMBL1503034 0.69 GRM2 (0.46) GRM2
SCHEMBL1503036 0.69 GRM2 (0.63) GRM2CYP3A4
SCHEMBL1502995 0.68 GRM2 (0.60) 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 claimed