SCHEMBL2212973

SCHEMBL2212973

CCN(CCOC)C(=O)Oc1ccc2cc(OC3CCN(C(C)C)C3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.49
ACACB O00763 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL2212247 0.95 HRH3 (0.54) HRH3ALDH1A1
SCHEMBL2214462 0.87 HRH3 (0.52) HRH3
SCHEMBL1377984 0.86 HRH3 (0.56) HRH3ACACB
SCHEMBL2211617 0.85 HRH3 (0.48) HRH3
SCHEMBL2212906 0.83 HRH3 (0.53) HRH3
SCHEMBL2211797 0.82 HRH3 (0.58) HRH3
SCHEMBL1380225 0.81 HRH3 (0.63) HRH3
SCHEMBL2212922 0.80 HRH3 (0.54) HRH3
SCHEMBL2212749 0.79 HRH3 (0.62) HRH3
SCHEMBL5024387 0.78 HRH3 (0.53) 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 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