SCHEMBL4374335

SCHEMBL4374335

CC(C)N1CCN(Cc2cccc(CC(I)N(Oc3ccc(Cl)c(Cl)c3)C(=O)OC(C)(C)C)c2)C(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.33
FAAH O00519 1/20 0.33
HRH1 P35367 3/20 0.32
CCR3 P51677 3/20 0.32
KCNH2 Q12809 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DPP4 P27487 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
AOC2 O75106 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL4360161 0.81 FAAH (0.36) HRH3FAAHHRH1CCR3KCNH2
SCHEMBL4019345 0.76 HRH3 (0.43) HRH3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4202808 0.71 HRH3 (0.46) HRH3SLC6A4
SCHEMBL4031484 0.70 SLC6A2 (0.47) HRH3NPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL18389811 0.66 L3MBTL1 (0.50) HRH3KCNH2NPSR1
SCHEMBL4014475 0.65 SLC6A4 (0.60) HRH3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL17897282 0.64 ALDH1A1 (0.52) DPP4
SCHEMBL4011831 0.60 SLC6A4 (0.43) HRH3FAAHCCR3KCNH2SLC6A2
SCHEMBL17897283 0.60 TRPC5 (0.48)
SCHEMBL7164782 0.60 KDM1A (0.51) DPP4

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-2049473-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP disclosed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO disclosed