SCHEMBL3662844

SCHEMBL3662844

COc1nccc2c(=O)n(-c3ccc(OCCCN4CCCC4)cc3)c(C)nc12

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.73
KCNH2 Q12809 17/20 0.73
ADRA1A P35348 1/20 0.64

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
SCHEMBL3828421 0.99 HRH3 (0.72) HRH3KCNH2ADRA1A
SCHEMBL4468612 0.84 HRH3 (0.98) HRH3KCNH2ADRA1A
SCHEMBL2001771 0.83 HRH3 (0.64) HRH3KCNH2ADRA1A
SCHEMBL4480836 0.82 HRH3 (0.98) HRH3KCNH2ADRA1A
Hydrochloric Acid SCHEMBL4467810 0.81 HRH3 (0.98) HRH3KCNH2ADRA1A
SCHEMBL4461471 0.81 HRH3 (0.80) HRH3KCNH2ADRA1A
SCHEMBL4473018 0.80 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL15555742 0.80 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL4485049 0.80 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL4474003 0.80 HRH3 (0.76) HRH3KCNH2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398483-A1 OXYNTOMODULIN ANALOGS Merck Sharp & Dohme Corp. (US) 2011-12-28 EP disclosed
WO-2010096142-A1 OXYNTOMODULIN ANALOGS MERCK SHARP & DOHME, CORP. (US) 2010-08-26 WO disclosed
EP-2139333-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
WO-2008118414-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-02 WO disclosed