SCHEMBL3230217

SCHEMBL3230217

CC1(C)CCCc2c(N3CC4CCCNC4C3)nc(N)nc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.54
HRH3 Q9Y5N1 4/20 0.47
HTR3A P46098 1/20 0.36
ROCK1 Q13464 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
SCHEMBL606339 1.00 HRH4 (0.54) HRH4HRH3HTR3AROCK1
SCHEMBL606064 0.88 HRH4 (0.58) HRH4HRH3HTR3AROCK1
SCHEMBL12853426 0.88 HRH4 (0.58) HRH4HRH3HTR3AROCK1
SCHEMBL606513 0.85 HRH4 (0.56) HRH4HRH3HTR3AROCK1
SCHEMBL12853421 0.82 HRH4 (0.60) HRH4HRH3
SCHEMBL12853443 0.82 HRH3 (0.65) HRH4HRH3HTR3A
SCHEMBL18550565 0.80 HRH4 (0.64) HRH4HRH3HTR3AROCK1
SCHEMBL18550564 0.80 HRH4 (0.64) HRH4HRH3HTR3AROCK1
SCHEMBL606357 0.80 HRH4 (0.64) HRH4HRH3HTR3AROCK1
SCHEMBL604782 0.80 HRH4 (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP claimed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO claimed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 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
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO disclosed