SCHEMBL4049545

SCHEMBL4049545

O=c1cc(OCc2ccc(Br)cn2)cnn1CCc1ccc2c(c1)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.48
ASIC3 Q9UHC3 1/20 0.37

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
SCHEMBL1367242 0.96 MCHR1 (0.48) MCHR1
SCHEMBL4048512 0.93 MCHR1 (0.51) MCHR1
SCHEMBL4045502 0.90 MCHR1 (0.49) MCHR1
SCHEMBL4048619 0.90 MCHR1 (0.49) MCHR1
SCHEMBL1367221 0.86 MCHR1 (0.50) MCHR1
SCHEMBL1366817 0.86 MCHR1 (0.49) MCHR1
SCHEMBL4045074 0.86 MCHR1 (0.49) MCHR1
SCHEMBL4046493 0.84 MCHR1 (0.50) MCHR1
SCHEMBL13748049 0.84 MCHR1 (0.40) MCHR1
SCHEMBL4050690 0.84 MCHR1 (0.53) 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 2 patents. 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
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed