SCHEMBL6891440

SCHEMBL6891440

CC1CCCN(c2ccc3c(n2)n(C)c(=O)n3CC2CC2(F)F)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.49
ALDH1A1 P00352 5/20 0.43
TSHR P16473 5/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
PARG Q86W56 3/20 0.39
MAP4K4 O95819 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX15 P16050 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
BCL6 P41182 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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 0.89 GRM2 (0.61) GRM2TSHRLMNAMAPTPARG
SCHEMBL6891162 0.88 GRM2 (0.50) GRM2ALDH1A1TSHRPARGHSD17B10
SCHEMBL1502968 0.88 GRM2 (0.64) GRM2ALDH1A1TSHRLMNAMAPT
SCHEMBL1502926 0.88 GRM2 (0.64) GRM2ALDH1A1TSHRLMNAMAPT
SCHEMBL1502974 0.88 GRM2 (0.64) GRM2ALDH1A1TSHRLMNAMAPT
SCHEMBL6891830 0.83 GRM2 (0.45) GRM2ALDH1A1TSHRLMNAMAPT
SCHEMBL6891306 0.81 GRM2 (0.52) GRM2ALDH1A1TSHRPARGSMN1; SMN2
SCHEMBL6893791 0.81 GRM2 (0.52) GRM2ALDH1A1TSHRPARGSMN1; SMN2
SCHEMBL6892255 0.81 GRM2 (0.52) GRM2ALDH1A1TSHRPARGSMN1; SMN2
SCHEMBL1503122 0.78 ALDH1A1 (0.46) GRM2ALDH1A1TSHRLMNAMAPT

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