SCHEMBL1380925

SCHEMBL1380925

COCC1(CNC(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.60
CYP2D6 P10635 2/20 0.42

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
SCHEMBL2208634 0.95 HRH3 (0.54) HRH3
SCHEMBL2211506 0.87 HRH3 (0.52) HRH3CYP2D6
SCHEMBL1382652 0.84 HRH3 (0.68) HRH3
SCHEMBL1381236 0.83 HRH3 (0.62) HRH3CYP2D6
SCHEMBL2206407 0.82 HRH3 (0.47) HRH3CYP2D6
SCHEMBL1380898 0.81 HRH3 (0.66) HRH3CYP2D6
SCHEMBL1379003 0.79 HRH3 (0.62) HRH3
SCHEMBL1380776 0.79 HRH3 (0.69) HRH3
SCHEMBL1377780 0.79 HRH3 (0.60) HRH3
SCHEMBL2212606 0.79 HRH3 (0.77) HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP claimed
JP-4660553-B2 2011-03-30 JP claimed
EP-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP disclosed