SCHEMBL2245117

SCHEMBL2245117

CC(C)N1CCCC(Oc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)C1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.80
SCN9A Q15858 8/20 0.49
SCN10A Q9Y5Y9 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
SCHEMBL1378887 0.89 HRH3 (1.00) HRH3SCN9A
SCHEMBL1377358 0.88 HRH3 (0.89) HRH3SCN9A
SCHEMBL1377485 0.85 HRH3 (0.75) HRH3SCN9A
SCHEMBL1381783 0.84 HRH3 (0.89) HRH3SCN9A
SCHEMBL1379507 0.84 HRH3 (0.76) HRH3SCN9A
SCHEMBL1381698 0.83 HRH3 (0.74) HRH3SCN9A
SCHEMBL1380440 0.83 HRH3 (0.74) HRH3SCN9A
SCHEMBL1378054 0.83 HRH3 (0.73) HRH3SCN9A
SCHEMBL1377618 0.82 HRH3 (0.69) HRH3SCN9A
SCHEMBL1377924 0.82 HRH3 (1.00) HRH3SCN9A

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