SCHEMBL22719930

SCHEMBL22719930

CNC(=O)c1ncc(Cn2ccc3cc(F)ccc32)c2c1OC(C)(C)OC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.39
MAOB P27338 2/20 0.37
EGLN1 Q9GZT9 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 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
SCHEMBL22738238 0.91 ALDH1A1 (0.37) MAOBEGLN1HTR2AHTR2C
SCHEMBL22719960 0.91 PPARG (0.38) PPARGMAOB
SCHEMBL22719901 0.91 EGLN1 (0.35) PPARGMAOBEGLN1
SCHEMBL22719921 0.90 NPY5R (0.39) PPARGMAOBEGLN1
SCHEMBL22738309 0.90 EGLN1 (0.44) PPARGEGLN1HTR2C
SCHEMBL22719911 0.88 HTR2A (0.37) PPARGMAOBEGLN1HTR2AHTR2C
SCHEMBL22738280 0.84 ALDH1A1 (0.51) PPARGMAOBHTR2AHTR2C
SCHEMBL22738232 0.81 ALDH1A1 (0.35) MAOB
SCHEMBL22738235 0.81 ALDH1A1 (0.37) MAOB
SCHEMBL22738287 0.81 MTNR1A (0.41) PPARGEGLN1HTR2C

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-2020237374-A1 PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2020-12-03 WO disclosed
WO-2020237374-A1 PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2020-12-03 WO disclosed