SCHEMBL5016953

SCHEMBL5016953

COC1CCCCN1C(=O)c1cc2cc(OC3CCN(C(C)C)C3)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.65
HRH4 Q9H3N8 1/20 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
SCHEMBL5023214 0.89 HRH3 (0.67) HRH3
SCHEMBL5023285 0.86 HRH3 (0.66) HRH3
SCHEMBL5017036 0.86 HRH3 (0.86) HRH3HRH4
SCHEMBL5017033 0.86 HRH3 (0.86) HRH3HRH4
SCHEMBL5017230 0.85 HRH3 (0.89) HRH3HRH4
SCHEMBL5023276 0.85 HRH3 (0.89) HRH3HRH4
SCHEMBL5022306 0.84 HRH3 (0.89) HRH3HRH4
SCHEMBL5024300 0.84 HRH3 (0.83) HRH3HRH4
SCHEMBL5017104 0.83 HRH3 (0.75) HRH3
SCHEMBL5017057 0.83 HRH3 (0.61) 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-1761519-B1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed