SCHEMBL13565263

SCHEMBL13565263

CCc1cc(NCCCCCNS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.48
EPHX1 P07099 1/20 0.39
AR P10275 5/20 0.39
CNR1 P21554 1/20 0.38
GSTO1 P78417 1/20 0.36
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
ABL1 P00519 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13565258 0.86 CNR2 (0.47) CNR2EPHX1ARCNR1GSTO1
SCHEMBL13565214 0.84 GRIA1 (0.46) CNR2ARCNR1FFAR4
SCHEMBL10115341 0.84 GSTO1 (0.46) GSTO1MAPT
SCHEMBL11935657 0.84 CNR2 (0.49) CNR2EPHX1ARCNR1
SCHEMBL13565955 0.83 CNR2 (0.44) CNR2CNR1POLBL3MBTL1
SCHEMBL11935708 0.80 AR (0.42) CNR2ARPOLBABL1
SCHEMBL11935312 0.79 MAPT (0.43) CNR2EPHX1POLBMAPTL3MBTL1
SCHEMBL13565792 0.79 EPHX1 (0.41) CNR2EPHX1POLBMAPTFFAR4
SCHEMBL13565161 0.78 CNR2 (0.40) CNR2EPHX1CNR1POLBMAPT
SCHEMBL13564900 0.77 PTGS1 (0.41) CNR2EPHX1MAPTL3MBTL1

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed