SCHEMBL13733306

SCHEMBL13733306

CC(N)Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2F)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.41
HTR2A P28223 7/20 0.34
HTR2C P28335 7/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2B P41595 1/20 0.34
LTA4H P09960 1/20 0.33
KCNH2 Q12809 1/20 0.33
IKBKB O14920 1/20 0.32

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
SCHEMBL13733303 1.00 AR (0.41) ARHTR2AHTR2CCYP1A2CYP3A4
SCHEMBL1817139 0.82 AR (0.44) ARHTR2AHTR2C
SCHEMBL1817136 0.82 AR (0.44) ARHTR2AHTR2C
SCHEMBL1815435 0.81 AR (0.52) ARHTR2AHTR2CLTA4HKCNH2
SCHEMBL1818302 0.81 AR (0.52) ARHTR2AHTR2CLTA4HKCNH2
SCHEMBL1815432 0.81 AR (0.52) ARHTR2AHTR2CLTA4HKCNH2
SCHEMBL1811872 0.81 AR (0.58) ARHTR2AHTR2CLTA4HKCNH2
SCHEMBL12079911 0.81 AR (0.58) ARHTR2AHTR2CLTA4HKCNH2
SCHEMBL1811871 0.81 AR (0.58) ARHTR2AHTR2CLTA4HKCNH2
SCHEMBL1817038 0.76 AR (0.48) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699561-B1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORP (FI) 2015-06-03 EP disclosed
US-8921378-B2 Androgen receptor modulating carboxamides ORION CORPORATION (FI) 2014-12-30 US disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO disclosed