SCHEMBL4041791

SCHEMBL4041791

O=C(Cn1ccc(OCc2ccc(F)cc2)cc1=O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.47
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 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
SCHEMBL1366972 0.92 MCHR1 (0.54) MCHR1ESR1ESR2
SCHEMBL1364829 0.87 MCHR1 (0.55) MCHR1
SCHEMBL15310146 0.87 MCHR1 (0.52) MCHR1
SCHEMBL4538551 0.86 MCHR1 (0.49) MCHR1ESR1ESR2
SCHEMBL1368089 0.85 MCHR1 (0.57) MCHR1
SCHEMBL4056391 0.85 MCHR1 (0.50) MCHR1
SCHEMBL1365157 0.83 MCHR1 (0.57) MCHR1
SCHEMBL4047945 0.83 MCHR1 (0.58) MCHR1
SCHEMBL4047923 0.82 MCHR1 (0.48) MCHR1
SCHEMBL4046615 0.81 MCHR1 (0.58) 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 4 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
EP-1819676-A4 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-15 EP disclosed
EP-1819676-A2 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-08-22 EP disclosed
WO-2006060344-A2 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-06-08 WO disclosed