SCHEMBL13748113

SCHEMBL13748113

C=C(Cn1ncc(OCc2ccccc2)cc1=O)c1ccc2c(c1)CCNC2

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.50
EGFR P00533 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL13749108 0.96 MCHR1 (0.50) MCHR1EGFR
SCHEMBL1365684 0.86 MCHR1 (0.60) MCHR1
SCHEMBL13748445 0.83 MCHR1 (0.51) MCHR1
SCHEMBL1366831 0.82 MCHR1 (0.64) MCHR1
SCHEMBL4045071 0.80 MCHR1 (0.48) MCHR1CYP3A4
SCHEMBL4047720 0.78 MCHR1 (0.51) MCHR1
SCHEMBL1367249 0.78 MCHR1 (0.45) MCHR1CYP3A4
SCHEMBL13748803 0.78 MCHR1 (0.53) MCHR1
SCHEMBL1368164 0.76 MCHR1 (0.51) MCHR1
Hydrochloric Acid SCHEMBL1367392 0.76 MCHR1 (0.51) 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