SCHEMBL4050394

SCHEMBL4050394

CCN1CCN(Cc2ccc(C(=O)Cn3ncc(OCc4ccccc4)cc3=O)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.72
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL1367999 0.89 MCHR1 (0.66) MCHR1
SCHEMBL1367069 0.88 MCHR1 (0.80) MCHR1NPC1
SCHEMBL1366902 0.85 MCHR1 (0.82) MCHR1
SCHEMBL1368205 0.85 MCHR1 (0.80) MCHR1
SCHEMBL15249805 0.84 MCHR1 (1.00) MCHR1
SCHEMBL15310571 0.83 MCHR1 (0.77) MCHR1SMN1; SMN2
SCHEMBL1364654 0.83 MCHR1 (0.77) MCHR1SMN1; SMN2
SCHEMBL1365170 0.82 MCHR1 (0.76) MCHR1
SCHEMBL13748605 0.82 MCHR1 (0.76) MCHR1
SCHEMBL4045403 0.80 MCHR1 (0.67) 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