SCHEMBL4969869

SCHEMBL4969869

O=C(C1CC1)N(CCCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGIR P43119 2/20 0.51
ACHE P22303 1/20 0.48
CCR5 P51681 6/20 0.47
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
KCNH2 Q12809 1/20 0.43
CNR1 P21554 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL4961889 0.81 HTT (0.51) HTTMEN1KMT2APTGIRCCR5
SCHEMBL4961878 0.80 HTT (0.50) HTTPTGIRACHECCR5CNR2
SCHEMBL4962835 0.78 HTT (0.60) HTTMEN1KMT2APTGIRACHE
SCHEMBL4966810 0.78 HTT (0.49) HTTKMT2ACNR2
SCHEMBL6414109 0.77 PTGIR (0.50) MEN1KMT2APTGIRCNR2CNR1
SCHEMBL6414107 0.77 PTGIR (0.50) MEN1KMT2APTGIRCNR2CNR1
SCHEMBL4963023 0.76 HTT (0.54) HTTCNR2KDM4ELMNAGAA
SCHEMBL4962348 0.76 HTT (0.43) HTTMEN1KMT2ACNR2LMNA
SCHEMBL4963412 0.75 HTT (0.55) HTTMEN1KMT2ACNR2KDM4E
SCHEMBL4560442 0.75 HTT (0.63) HTTMEN1KMT2AACHECCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed