SCHEMBL2214281

SCHEMBL2214281

CC(C)N1CCC(Oc2cccc3ccc(C(=O)N4CCOCC4)nc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.66
MCHR1 Q99705 1/20 0.43

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
SCHEMBL2208886 0.91 HRH3 (0.61) HRH3MCHR1
SCHEMBL2208189 0.91 HRH3 (0.64) HRH3MCHR1
SCHEMBL2211153 0.89 HRH3 (0.65) HRH3MCHR1
SCHEMBL2210901 0.89 HRH3 (0.55) HRH3MCHR1
SCHEMBL2211215 0.89 HRH3 (0.57) HRH3MCHR1
SCHEMBL2213031 0.88 HRH3 (0.53) HRH3MCHR1
SCHEMBL2211838 0.88 HRH3 (0.52) HRH3MCHR1
SCHEMBL2213067 0.87 HRH3 (0.52) HRH3MCHR1
SCHEMBL2210331 0.87 HRH3 (0.52) HRH3MCHR1
SCHEMBL2211146 0.86 HRH3 (0.59) 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-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP claimed