SCHEMBL1379003

SCHEMBL1379003

COCC(NC(=O)c1ccc2cc(OC3CCN(C(C)C)CC3)ccc2n1)C1CC1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.62

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
SCHEMBL2209047 0.95 HRH3 (0.56) HRH3
SCHEMBL1382652 0.82 HRH3 (0.68) HRH3
SCHEMBL1380776 0.81 HRH3 (0.69) HRH3
SCHEMBL2212606 0.80 HRH3 (0.77) HRH3
SCHEMBL1380225 0.80 HRH3 (0.63) HRH3
SCHEMBL2235027 0.80 HRH3 (0.70) HRH3
SCHEMBL1380925 0.79 HRH3 (0.60) HRH3
SCHEMBL1380898 0.79 HRH3 (0.66) HRH3
SCHEMBL1381691 0.78 HRH3 (0.62) HRH3
SCHEMBL1378259 0.77 HRH3 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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