SCHEMBL1502970

SCHEMBL1502970

CCC1CCCCN1c1ccc2c(n1)n(C)c(=O)n2CC1CC1(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.50
PARG Q86W56 3/20 0.39
HSD17B10 Q99714 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6892255 0.88 GRM2 (0.52) GRM2PARGTSHRALDH1A1CYP3A4
SCHEMBL6893791 0.88 GRM2 (0.52) GRM2PARGTSHRALDH1A1CYP3A4
SCHEMBL6891306 0.88 GRM2 (0.52) GRM2PARGTSHRALDH1A1CYP3A4
SCHEMBL1502946 0.84 GRM2 (0.49) GRM2HSD17B10LMNATP53TSHR
SCHEMBL1503038 0.84 GRM2 (0.61) GRM2PARGLMNATSHRNPSR1
SCHEMBL6894128 0.83 GRM2 (0.45) GRM2PARGLMNATSHRALDH1A1
SCHEMBL1502926 0.83 GRM2 (0.64) GRM2PARGLMNATSHRALDH1A1
SCHEMBL1502968 0.83 GRM2 (0.64) GRM2PARGLMNATSHRALDH1A1
SCHEMBL1502974 0.83 GRM2 (0.64) GRM2PARGLMNATSHRALDH1A1
SCHEMBL1503055 0.82 GRM2 (0.73) 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 claimed
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO disclosed