SCHEMBL4052489

SCHEMBL4052489

O=C(Cn1ncc(OCc2ccc(Br)cn2)cc1=O)c1ccc(CO)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.79
CYP3A4 P08684 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL4050163 0.92 MCHR1 (0.79) MCHR1CYP3A4KCNH2
SCHEMBL15249802 0.89 MCHR1 (1.00) MCHR1CYP3A4KCNH2
SCHEMBL1367992 0.88 MCHR1 (0.79) MCHR1
SCHEMBL1366642 0.88 MCHR1 (0.66) MCHR1CYP3A4KCNH2
SCHEMBL15238614 0.88 MCHR1 (0.82) MCHR1CYP3A4KCNH2
SCHEMBL4045084 0.84 MCHR1 (0.79) MCHR1
SCHEMBL15310571 0.82 MCHR1 (0.77) MCHR1
SCHEMBL1364654 0.82 MCHR1 (0.77) MCHR1
SCHEMBL15238604 0.82 MCHR1 (0.85) MCHR1CYP3A4KCNH2
SCHEMBL1365095 0.81 MCHR1 (0.78) 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