SCHEMBL8320712

SCHEMBL8320712

Cn1cnc(CCCCCN2CCC(=C(c3ccc(Cl)cc3)c3ccccn3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
OPRD1 P41143 5/20 0.45
KCNH2 Q12809 4/20 0.45
OPRM1 P35372 3/20 0.45
OPRK1 P41145 1/20 0.37
DRD4 P21917 5/20 0.37
DRD2 P14416 5/20 0.37
DRD3 P35462 3/20 0.36
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6781672 0.84 PTAFR (0.52) PTAFRMEN1KMT2AFNTAFNTB
SCHEMBL6779286 0.84 PTAFR (0.52) PTAFRMEN1KMT2AFNTAFNTB
SCHEMBL6785728 0.83 PTAFR (0.53) PTAFRMEN1KMT2AFNTAFNTB
Cycliramine SCHEMBL2109915 0.76 MEN1 (0.82) PTAFRMEN1KMT2AFNTAFNTB
SCHEMBL16840345 0.76 KCNH2 (0.44) PTAFRMEN1KMT2AFNTAFNTB
SCHEMBL8311278 0.74 MEN1 (0.53) PTAFRMEN1KMT2AFNTAFNTB
Cycliramine SCHEMBL634920 0.69 MEN1 (1.00) PTAFRMEN1KMT2AFNTAFNTB
SCHEMBL8316876 0.68 OPRD1 (0.53) PTAFRMEN1KMT2AOPRD1OPRM1
SCHEMBL12781730 0.68 PTAFR (0.58) PTAFRMEN1KMT2AFNTAFNTB
SCHEMBL6583543 0.67 OPRD1 (0.62) PTAFRMEN1KMT2AFNTAFNTB

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-2004066960-A2 COMBINATION OF H1, H3 AND H4 RECEPTOR ANTAGONISTS FOR TREATMENT OF ALLERGIC AND NON-ALLERGIC PULMONARY INFLAMMATION, CONGESTION AND ALLERGIC RHINITIS SCHERING CORPORATION (US) 2004-08-12 WO disclosed