SCHEMBL13190899

SCHEMBL13190899

C=C(Nc1ccc(OC(C)C)cc1)N1CCc2ccc(-c3cc(N4CCN(C)CC4)nc(N)n3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.49
HTR3A P46098 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SCN2A Q99250 1/20 0.41

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
SCHEMBL2804725 0.91 HRH4 (0.48) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL13190454 0.89 HRH4 (0.50) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL13190752 0.88 HRH4 (0.60) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL13190896 0.84 HRH4 (0.53) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL13190438 0.83 HRH4 (0.52) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL13190800 0.82 HRH4 (0.51) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL13190816 0.82 HRH4 (0.43) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL13190901 0.80 HRH4 (0.51) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL13125545 0.80 NPC1 (0.50) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL13190807 0.80 HRH4 (0.55) HRH4HTR3AHTR1AADRA2AADRA2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed