SCHEMBL1376372

SCHEMBL1376372

CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1.COC1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3[nH]2)CC1

nearest known ligand 0.91

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.91

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
SCHEMBL1378962 0.95 HRH3 (1.00) HRH3
SCHEMBL1377995 0.94 HRH3 (1.00) HRH3
SCHEMBL5025830 0.90 HRH3 (0.89) HRH3
SCHEMBL1375917 0.90 HRH3 (0.89) HRH3
SCHEMBL1375921 0.90 HRH3 (0.89) HRH3
SCHEMBL5022306 0.89 HRH3 (0.89) HRH3
SCHEMBL1377980 0.88 HRH3 (1.00) HRH3
SCHEMBL5027425 0.88 HRH3 (0.88) HRH3
SCHEMBL5023556 0.87 HRH3 (0.85) HRH3
SCHEMBL5017110 0.87 HRH3 (0.85) 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
JP-4652404-B2 2011-03-16 JP claimed
EP-1761519-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005123716-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO claimed