SCHEMBL18486240

SCHEMBL18486240

CC(C)(C)CNc1cc(N2CC3CCCNC3C2)nc(N)n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.62
ROCK1 Q13464 1/20 0.51
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR3A P46098 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
SCHEMBL18486242 1.00 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL5152791 1.00 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL12605013 0.90 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL18636735 0.90 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL1775551 0.86 HRH4 (0.66) HRH4ROCK1HTR3A
SCHEMBL1775550 0.86 HRH4 (0.66) HRH4ROCK1HTR3A
SCHEMBL3467181 0.85 HRH4 (0.58) HRH4KCNH2HRH3
SCHEMBL3467182 0.85 HRH4 (0.58) HRH4KCNH2HRH3
SCHEMBL5155514 0.85 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL5155504 0.85 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A

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-3130376-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-02-15 EP disclosed