SCHEMBL4219481

SCHEMBL4219481

O=C(Cn1ncc(OCc2ccc(Cl)cn2)cc1=O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.57
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL13748834 0.86 MCHR1 (0.62) MCHR1
SCHEMBL1365708 0.85 MCHR1 (0.56) MCHR1ESR1ESR2
SCHEMBL4538551 0.85 MCHR1 (0.49) MCHR1ESR1ESR2
SCHEMBL4046311 0.81 MCHR1 (0.61) MCHR1
SCHEMBL1364958 0.80 MCHR1 (0.58) MCHR1
SCHEMBL1365157 0.79 MCHR1 (0.57) MCHR1
SCHEMBL13748123 0.79 MCHR1 (0.53) MCHR1
SCHEMBL1367199 0.78 MCHR1 (0.64) MCHR1
SCHEMBL10265276 0.78 ESR1 (0.47) ESR1ESR2
SCHEMBL13748154 0.77 MCHR1 (0.49) 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