SCHEMBL2497609

SCHEMBL2497609

Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1.Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.84
KCNH2 Q12809 4/20 0.68

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
SCHEMBL502360 0.92 HRH3 (1.00) HRH3KCNH2
SCHEMBL502675 0.92 HRH3 (1.00) HRH3KCNH2
SCHEMBL4059383 0.87 HRH3 (0.81) HRH3KCNH2
SCHEMBL2365281 0.85 HRH3 (0.84) HRH3KCNH2
SCHEMBL502215 0.84 HRH3 (1.00) HRH3KCNH2
SCHEMBL15475255 0.84 HRH3 (0.87) HRH3KCNH2
SCHEMBL4462908 0.84 HRH3 (1.00) HRH3KCNH2
SCHEMBL502064 0.83 HRH3 (1.00) HRH3KCNH2
SCHEMBL4467636 0.82 HRH3 (1.00) HRH3KCNH2
SCHEMBL502523 0.82 HRH3 (1.00) HRH3KCNH2

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-2538784-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2013-01-02 EP disclosed
EP-2398483-A1 OXYNTOMODULIN ANALOGS Merck Sharp & Dohme Corp. (US) 2011-12-28 EP disclosed
WO-2011106273-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-01 WO disclosed
WO-2010096142-A1 OXYNTOMODULIN ANALOGS MERCK SHARP & DOHME, CORP. (US) 2010-08-26 WO disclosed