SCHEMBL15475255

SCHEMBL15475255

COc1ccc2nc(C)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c2c1.Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.87
KCNH2 Q12809 5/20 0.70
ADRA1A P35348 1/20 0.62

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
SCHEMBL502215 0.93 HRH3 (1.00) HRH3KCNH2
SCHEMBL502523 0.92 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL502360 0.91 HRH3 (1.00) HRH3KCNH2
SCHEMBL4473307 0.90 HRH3 (0.96) HRH3KCNH2ADRA1A
SCHEMBL4472904 0.90 HRH3 (1.00) HRH3KCNH2
SCHEMBL2365281 0.85 HRH3 (0.84) HRH3KCNH2
SCHEMBL4462908 0.85 HRH3 (1.00) HRH3KCNH2
SCHEMBL2497609 0.84 HRH3 (0.84) HRH3KCNH2
SCHEMBL4469937 0.84 HRH3 (0.80) HRH3KCNH2
SCHEMBL4473357 0.83 HRH3 (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698157-A1 Method of treatment using fatty acid synthesis inhibitors Merck Sharp & Dohme Corp. (US) 2014-02-19 EP disclosed