SCHEMBL1728829

SCHEMBL1728829

CC1CCC(C)N1CCOc1ccc(-n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
HRH3 Q9Y5N1 11/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
MCHR1 Q99705 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL6081546 0.88 HRH3 (0.42) HRH3MCHR1
SCHEMBL1727559 0.86 HRH3 (0.51) HRH3
SCHEMBL1727579 0.84 SIGMAR1 (0.52) HRH3MCHR1
SCHEMBL1729757 0.83 LTA4H (0.53) LTA4HHRH3HRH2HRH1MCHR1
SCHEMBL1727689 0.82 HRH3 (0.48) HRH3MCHR1
SCHEMBL1728856 0.82 HRH3 (0.42) HRH3MCHR1
SCHEMBL1728687 0.82 HRH3 (0.39) HRH3MCHR1
SCHEMBL1728688 0.81 LSS (0.48) LTA4HHRH3MCHR1
SCHEMBL1728644 0.81 HRH3 (0.42) HRH3MCHR1
SCHEMBL1727343 0.81 PDE6D (0.46) HRH3MCHR1

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
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed