SCHEMBL3467182

SCHEMBL3467182

CC(C)(C)CNc1cc(N2CC[C@@H]3NCC[C@@H]3C2)nc(N)n1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.58
HRH3 Q9Y5N1 2/20 0.47
KCNH2 Q12809 1/20 0.47
PTPN11 Q06124 1/20 0.39

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
SCHEMBL3467181 1.00 HRH4 (0.58) HRH4HRH3KCNH2PTPN11
SCHEMBL18486240 0.85 HRH4 (0.62) HRH4HRH3KCNH2
SCHEMBL18486242 0.85 HRH4 (0.62) HRH4HRH3KCNH2
SCHEMBL5152791 0.85 HRH4 (0.62) HRH4HRH3KCNH2
SCHEMBL1773849 0.82 HRH4 (0.64) HRH4HRH3KCNH2PTPN11
SCHEMBL1773850 0.82 HRH4 (0.64) HRH4HRH3KCNH2PTPN11
SCHEMBL2568342 0.81 HRH4 (0.64) HRH4HRH3KCNH2
SCHEMBL1775385 0.81 HRH4 (0.67) HRH4HRH3KCNH2
SCHEMBL1774201 0.79 HRH4 (0.66) HRH4HRH3KCNH2
SCHEMBL5149933 0.78 HRH4 (0.72) HRH4HRH3KCNH2

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
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed