SCHEMBL2568342

SCHEMBL2568342

C[C@@H]1CN(c2cc(NCC(C)(C)C)nc(N)n2)CCN1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.64
HRH3 Q9Y5N1 2/20 0.47
KCNH2 Q12809 1/20 0.47
NUDT1 P36639 2/20 0.41

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
SCHEMBL3467182 0.81 HRH4 (0.58) HRH4HRH3KCNH2
SCHEMBL3467181 0.81 HRH4 (0.58) HRH4HRH3KCNH2
SCHEMBL1775385 0.81 HRH4 (0.67) HRH4HRH3KCNH2
SCHEMBL1774659 0.80 HRH4 (0.77) HRH4HRH3KCNH2NUDT1
SCHEMBL603024 0.80 HRH4 (0.49) HRH4HRH3
SCHEMBL603023 0.80 HRH4 (0.49) HRH4HRH3
SCHEMBL1774201 0.78 HRH4 (0.66) HRH4HRH3KCNH2NUDT1
SCHEMBL5152060 0.78 HRH4 (0.73) HRH4HRH3KCNH2NUDT1
SCHEMBL1774257 0.78 HRH4 (0.73) HRH4HRH3KCNH2NUDT1
SCHEMBL12605095 0.78 HRH4 (0.73) HRH4HRH3KCNH2NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382013-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-11-02 EP disclosed
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