SCHEMBL1367069

SCHEMBL1367069

O=C(Cn1ncc(OCc2ccccc2)cc1=O)c1ccc(CN2CCC(O)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.80
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL1368205 0.95 MCHR1 (0.80) MCHR1
SCHEMBL1367999 0.88 MCHR1 (0.66) MCHR1
SCHEMBL4050394 0.88 MCHR1 (0.72) MCHR1NPC1
SCHEMBL15239106 0.84 MCHR1 (1.00) MCHR1
SCHEMBL15239108 0.84 MCHR1 (1.00) MCHR1
SCHEMBL1367239 0.83 MCHR1 (0.79) MCHR1NPC1RAB9A
SCHEMBL1366902 0.82 MCHR1 (0.82) MCHR1
SCHEMBL1364654 0.82 MCHR1 (0.77) MCHR1
SCHEMBL15310571 0.82 MCHR1 (0.77) MCHR1
SCHEMBL15271947 0.81 MCHR1 (0.84) 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
EP-2069327-B1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP claimed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US claimed