SCHEMBL860296

SCHEMBL860296

C[AsH]C1CCN(c2ccnc(NC3CCCC3)c2)C1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.72
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL860295 1.00 HRH4 (0.72) HRH4KDM4EALDH1A1L3MBTL1
SCHEMBL847290 0.84 HRH4 (1.00) HRH4
SCHEMBL1588651 0.84 HRH4 (1.00) HRH4
Hydrochloric Acid SCHEMBL15703826 0.82 HRH4 (0.97) HRH4
SCHEMBL1589569 0.82 HRH4 (0.71) HRH4KDM4EALDH1A1L3MBTL1
SCHEMBL19458954 0.82 HRH4 (0.71) HRH4KDM4EALDH1A1L3MBTL1
SCHEMBL1588241 0.82 HRH4 (0.71) HRH4KDM4EALDH1A1L3MBTL1
SCHEMBL1588056 0.81 HRH4 (0.70) HRH4KDM4EALDH1A1L3MBTL1
SCHEMBL860177 0.81 HRH4 (0.47) HRH4
SCHEMBL860178 0.81 HRH4 (0.47) HRH4

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