SCHEMBL4045006

SCHEMBL4045006

CC(C)(C)OC(=O)N1CCc2ccc(CCn3ncc(OCc4ccc(F)cn4)cc3=O)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.48
NR1H2 P55055 1/20 0.43
ESR2 Q92731 1/20 0.42
HPGDS O60760 1/20 0.40
P2RX3 P56373 1/20 0.38

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
SCHEMBL1367079 0.91 MCHR1 (0.48) MCHR1NR1H2ESR2
SCHEMBL1367201 0.91 MCHR1 (0.50) MCHR1NR1H2ESR2
SCHEMBL4215749 0.89 MCHR1 (0.49) MCHR1NR1H2ESR2P2RX3
SCHEMBL4212822 0.88 MCHR1 (0.50) MCHR1ESR2
SCHEMBL4221156 0.88 MCHR1 (0.48) MCHR1NR1H2ESR2
SCHEMBL4044518 0.87 MCHR1 (0.50) MCHR1
SCHEMBL1365639 0.87 TMEM97 (0.49) MCHR1NR1H2ESR2P2RX3
SCHEMBL4051259 0.85 MCHR1 (0.50) MCHR1
SCHEMBL13747952 0.85 MCHR1 (0.49) MCHR1
SCHEMBL4226957 0.84 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