SCHEMBL859900

SCHEMBL859900

CN[C@H]1CCN(c2ccnc([AsH]CCCO)n2)C1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 20/20 0.56
HRH3 Q9Y5N1 3/20 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
SCHEMBL859901 1.00 HRH4 (0.56) HRH4HRH3
SCHEMBL1827158 0.82 HRH4 (0.57) HRH4HRH3
SCHEMBL1827161 0.82 HRH4 (0.57) HRH4HRH3
SCHEMBL1587963 0.81 HRH4 (0.81) HRH4HRH3
SCHEMBL845994 0.81 HRH4 (0.81) HRH4HRH3
SCHEMBL19458969 0.81 HRH4 (0.81) HRH4HRH3
SCHEMBL17908157 0.79 HRH4 (0.61) HRH4HRH3
SCHEMBL17908158 0.79 HRH4 (0.61) HRH4HRH3
SCHEMBL28791452 0.75 HRH4 (0.69) HRH4HRH3
SCHEMBL17637741 0.75 HRH4 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524363-A 2011-09-01 JP claimed
EP-2315521-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR Janssen Pharmaceutica NV (BE) 2011-05-04 EP claimed
WO-2009152325-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 WO claimed