SCHEMBL860464

SCHEMBL860464

CC(C)C[AsH]c1nccc(N2CCN(C)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.58
HRH3 Q9Y5N1 3/20 0.54
ALDH1A1 P00352 6/20 0.46
CYP1A2 P05177 6/20 0.46
HSD17B10 Q99714 4/20 0.46
CYP2D6 P10635 4/20 0.46
ALOX15 P16050 1/20 0.46
HTR6 P50406 2/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1D P28221 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45

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
SCHEMBL859671 0.84 HRH4 (0.59) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL14004731 0.77 HRH4 (0.61) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL1587961 0.73 HRH4 (1.00) HRH4HRH3HTR6ADRA2BADRA2C
SCHEMBL14029975 0.72 HRH4 (0.67) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL1588697 0.71 HRH4 (1.00) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL2166051 0.70 HRH4 (1.00) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL2190955 0.70 HRH4 (0.65) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL29997962 0.70 HRH4 (0.65) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL19233404 0.70 HRH4 (0.81) HRH4HRH3ALDH1A1CYP1A2HSD17B10
SCHEMBL8475763 0.69 HRH4 (0.63) HRH4HRH3ALDH1A1CYP1A2HSD17B10

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