SCHEMBL4563396

SCHEMBL4563396

CNC1CCN(c2cc(C3CCCO3)nc(N)n2)C1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 20/20 0.69
HRH3 Q9Y5N1 2/20 0.58
KCNH2 Q12809 1/20 0.54

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
SCHEMBL602578 1.00 HRH4 (0.69) HRH4HRH3KCNH2
SCHEMBL602577 1.00 HRH4 (0.69) HRH4HRH3KCNH2
SCHEMBL602950 1.00 HRH4 (0.69) HRH4HRH3KCNH2
SCHEMBL603933 0.92 HRH4 (0.57) HRH4HRH3
SCHEMBL603932 0.92 HRH4 (0.57) HRH4HRH3
SCHEMBL604885 0.92 HRH4 (0.57) HRH4HRH3
SCHEMBL602515 0.82 HRH4 (1.00) HRH4HRH3
SCHEMBL601750 0.82 HRH4 (1.00) HRH4HRH3
SCHEMBL601749 0.82 HRH4 (1.00) HRH4HRH3
SCHEMBL602514 0.82 HRH4 (1.00) HRH4HRH3

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
WO-2009077608-A1 2 -AMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 ANTAGONISTS PALAU PHARMA, S. A. (ES) 2009-06-25 WO claimed
WO-2009077608-A1 2 -AMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 ANTAGONISTS PALAU PHARMA, S. A. (ES) 2009-06-25 WO disclosed