SCHEMBL1503122

SCHEMBL1503122

Cn1c(=O)n(CC2CC2(F)F)c2ccc(N3CCc4ccccc4C3)nc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GRM2 Q14416 6/20 0.44
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRIN2D O15399 3/20 0.40
GRIN3B O60391 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2B Q13224 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN3A Q8TCU5 3/20 0.40
PARG Q86W56 3/20 0.39
HDAC6 Q9UBN7 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL1503038 0.84 GRM2 (0.61) GRM2TSHRMAPTPARGLMNA
SCHEMBL1502926 0.83 GRM2 (0.64) ALDH1A1GRM2TSHRMAPTPARG
SCHEMBL1502968 0.83 GRM2 (0.64) ALDH1A1GRM2TSHRMAPTPARG
SCHEMBL1502974 0.83 GRM2 (0.64) ALDH1A1GRM2TSHRMAPTPARG
SCHEMBL6892275 0.81 GRM2 (0.69) ALDH1A1GRM2TSHRMAPTSMN1; SMN2
SCHEMBL6891162 0.81 GRM2 (0.50) ALDH1A1GRM2TSHRPARG
SCHEMBL6891440 0.78 GRM2 (0.49) ALDH1A1GRM2TSHRMAPTSMN1; SMN2
SCHEMBL6891297 0.74 GRM2 (0.47) GRM2MAPTGRIN1GRIN2BPARG
SCHEMBL6891306 0.74 GRM2 (0.52) ALDH1A1GRM2TSHRSMN1; SMN2PARG
SCHEMBL6893791 0.74 GRM2 (0.52) ALDH1A1GRM2TSHRSMN1; SMN2PARG

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