SCHEMBL13748840

SCHEMBL13748840

O=C(O)N1Cc2ccc(CCn3ncc(OCc4ccccc4)cc3=O)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.49
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL4046428 0.89 MCHR1 (0.49) MCHR1HRH3
SCHEMBL4054734 0.88 MCHR1 (0.47) MCHR1TMEM97SIGMAR1HTR1AADRA2A
SCHEMBL4044953 0.85 MCHR1 (0.52) MCHR1
SCHEMBL13748417 0.85 MCHR1 (0.52) MCHR1
SCHEMBL13748357 0.85 MCHR1 (0.41) MCHR1
SCHEMBL1365799 0.84 HRH3 (0.53) MCHR1TMEM97SIGMAR1HRH3
SCHEMBL1365639 0.84 TMEM97 (0.49) MCHR1TMEM97SIGMAR1HTR1AADRA2A
SCHEMBL4044960 0.83 MCHR1 (0.47) MCHR1
SCHEMBL13748362 0.82 MCHR1 (0.59) MCHR1
SCHEMBL1367357 0.80 MCHR1 (0.54) MCHR1

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