SCHEMBL1828985

SCHEMBL1828985

[AsH2]C1CCN(c2ccnc(NCCc3ccccc3)n2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 6/20 0.71
HRH4 Q9H3N8 6/20 0.64
HRH3 Q9Y5N1 3/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
SLC6A2 P23975 1/20 0.64
HRH2 P25021 1/20 0.64
HTR1D P28221 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
HTR7 P34969 1/20 0.64
HTR2B P41595 1/20 0.64
HTR5A P47898 1/20 0.64
HTR6 P50406 1/20 0.64
SLC6A3 Q01959 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
MKNK1 Q9BUB5 5/20 0.49
MKNK2 Q9HBH9 5/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL1828982 1.00 OGA (0.71) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL846741 0.87 OGA (0.73) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL1588064 0.84 OGA (0.72) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL26708279 0.81 OGA (0.79) OGAHRH4HRH3ADRA2BADRA2C
Tp-040N SCHEMBL1587977 0.78 HRH4 (1.00) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL847524 0.78 HRH4 (0.73) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL1588714 0.77 HRH4 (0.69) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL604034 0.74 HRH4 (0.70) OGAHRH4HRH3
SCHEMBL846870 0.74 HRH4 (0.70) OGAHRH4HRH3
SCHEMBL604033 0.74 HRH4 (0.70) OGAHRH4HRH3

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
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