SCHEMBL4047378

SCHEMBL4047378

COc1ccc(COc2ccn(CC(=O)c3ccc(C(C)O)cc3)c(=O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.60
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13748370 0.91 MCHR1 (0.59) MCHR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL4046477 0.91 MCHR1 (0.59) MCHR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL4044442 0.90 MCHR1 (0.60) MCHR1
SCHEMBL4045465 0.90 MCHR1 (0.60) MCHR1
SCHEMBL4047703 0.81 MCHR1 (0.59) MCHR1
SCHEMBL15310200 0.78 MCHR1 (0.62) MCHR1
SCHEMBL1365451 0.76 MCHR1 (0.77) MCHR1
SCHEMBL2876830 0.76 MCHR1 (0.67) MCHR1
SCHEMBL1366725 0.75 MCHR1 (0.75) MCHR1
SCHEMBL15249806 0.75 MCHR1 (1.00) 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