SCHEMBL6891306

SCHEMBL6891306

C[C@@H]1CCCCN1c1ccc2c(n1)n(C)c(=O)n2CC1CC1(F)F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.52
PARG Q86W56 3/20 0.40
CYP3A4 P08684 1/20 0.36
SMPD3 Q9NY59 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM4 P08173 1/20 0.34

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 1.00 GRM2 (0.52) GRM2PARGCYP3A4SMPD3ALDH1A1
SCHEMBL6893791 1.00 GRM2 (0.52) GRM2PARGCYP3A4SMPD3ALDH1A1
SCHEMBL1502970 0.88 GRM2 (0.50) GRM2PARGCYP3A4ALDH1A1TSHR
SCHEMBL1503038 0.85 GRM2 (0.61) GRM2PARGTSHRKMT2A
SCHEMBL1502968 0.84 GRM2 (0.64) GRM2PARGALDH1A1TSHR
SCHEMBL1502974 0.84 GRM2 (0.64) GRM2PARGALDH1A1TSHR
SCHEMBL1502926 0.84 GRM2 (0.64) GRM2PARGALDH1A1TSHR
SCHEMBL6894128 0.83 GRM2 (0.45) GRM2PARGCYP3A4ALDH1A1TSHR
SCHEMBL6891162 0.82 GRM2 (0.50) GRM2PARGALDH1A1TSHRKMT2A
SCHEMBL1503012 0.81 GRM2 (0.76) 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