SCHEMBL4967508

SCHEMBL4967508

O=C(C1CC1)N(CCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 4/20 0.49
CYP3A4 P08684 3/20 0.45
CNR2 P34972 1/20 0.43
CNR1 P21554 1/20 0.42
EPHX2 P34913 2/20 0.40
METAP2 P50579 2/20 0.39
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38

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 0.77 HTT (0.51) HTTCNR2CNR1CYP2D6
SCHEMBL4961878 0.76 HTT (0.50) HTTCYP3A4CNR2CYP2D6KCNH2
SCHEMBL4969869 0.74 HTT (0.63) HTTCNR2CNR1KCNH2
SCHEMBL4963023 0.73 HTT (0.54) HTTCYP3A4CNR2CNR1CYP2D6
SCHEMBL17513548 0.72 KMT2A (0.45) HTTCYP3A4CYP2D6
SCHEMBL4966810 0.72 HTT (0.49) HTTCYP3A4CNR2
SCHEMBL5305249 0.71 CNR2 (0.51) HTTCYP3A4CNR2CNR1
SCHEMBL6420648 0.70 HTT (0.43) HTTSLC6A2SLC6A4CYP3A4CNR2
SCHEMBL4962835 0.69 HTT (0.60) HTTCNR2EPHX2
SCHEMBL21612322 0.67 SIGMAR1 (0.49) HTTSLC6A2SLC6A4EPHX2METAP2

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 6 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 claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
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