SCHEMBL2566136

SCHEMBL2566136

CC1(C)CCc2c(nc(N)nc2N2CC3CCCNC3C2)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.51
HRH3 Q9Y5N1 4/20 0.34
HTR3A P46098 1/20 0.33
ROCK1 Q13464 1/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL603609 1.00 HRH4 (0.51) HRH4HRH3HTR3AROCK1PIK3R1
SCHEMBL3230075 0.86 HRH4 (0.52) HRH4HRH3HTR3AROCK1
SCHEMBL3230086 0.86 HRH4 (0.52) HRH4HRH3HTR3AROCK1
SCHEMBL606357 0.84 HRH4 (0.64) HRH4HRH3HTR3AROCK1
SCHEMBL18550564 0.84 HRH4 (0.64) HRH4HRH3HTR3AROCK1
SCHEMBL18550565 0.84 HRH4 (0.64) HRH4HRH3HTR3AROCK1
SCHEMBL604782 0.84 HRH4 (0.64) HRH4HRH3HTR3AROCK1
SCHEMBL604783 0.84 HRH4 (0.64) HRH4HRH3HTR3AROCK1
SCHEMBL606814 0.81 HRH4 (0.37) HRH4HRH3
SCHEMBL606339 0.80 HRH4 (0.54) HRH4HRH3HTR3AROCK1

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