SCHEMBL4045946

SCHEMBL4045946

C=C(Cn1ccc(OCc2ccccc2)cc1=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.47
NR1H2 P55055 1/20 0.45
ESR2 Q92731 1/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAPK14 Q16539 1/20 0.42
GHSR Q92847 1/20 0.41

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
SCHEMBL4566689 0.92 MCHR1 (0.54) MCHR1NR1H2ESR2
SCHEMBL1364854 0.89 MCHR1 (0.54) MCHR1ESR2
SCHEMBL1367875 0.85 MCHR1 (0.52) MCHR1NR1H2ESR2TMEM97SIGMAR1
SCHEMBL4046203 0.83 NR1H2 (0.46) MCHR1NR1H2ESR2TMEM97SIGMAR1
SCHEMBL30199590 0.82 NR1H2 (0.60) NR1H2ESR2TMEM97SIGMAR1HRH1
SCHEMBL1365643 0.81 MCHR1 (0.52) MCHR1NR1H2ESR2TMEM97SIGMAR1
SCHEMBL4046615 0.81 MCHR1 (0.58) MCHR1
SCHEMBL4047945 0.81 MCHR1 (0.58) MCHR1MAPK14
SCHEMBL1366972 0.79 MCHR1 (0.54) MCHR1ESR2MAPK14
SCHEMBL23684926 0.78 ESR2 (0.64) NR1H2ESR2TMEM97SIGMAR1HRH1

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-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed