SCHEMBL4006938

SCHEMBL4006938

O=C(N[C@]1(S(=O)(=O)c2ccccc2C(F)(F)F)CCCNC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 3/20 0.39
CTSS P25774 1/20 0.38
SLC6A9 P48067 1/20 0.37
MAPT P10636 1/20 0.37
SSTR4 P31391 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
HCRTR1 O43613 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL4003470 0.85 CTSS (0.39) CTSSSLC6A9SSTR4RXFP1EPHX2
SCHEMBL4292846 0.83 EPHX2 (0.45) EPHX2
SCHEMBL4005033 0.82 EPHX2 (0.35) KMT2ACTSSMEN1ALDH1A1EPHX2
SCHEMBL4001806 0.82 ATM (0.44) KMT2ACTSSALDH1A1CYP1A2EPHX2
SCHEMBL4006999 0.81 EPHX2 (0.47) L3MBTL1KMT2AMAPTMEN1ALDH1A1
SCHEMBL4009618 0.80 PKM (0.40) MAPTSLC6A2SLC6A4EPHX2
SCHEMBL4009421 0.80 CNR1 (0.48) L3MBTL1KMT2ARXFP1ALDH1A1
SCHEMBL4010678 0.80 HSD11B1 (0.45) EPHX2
SCHEMBL4010564 0.79 EPHX2 (0.35) KMT2ASSTR4RXFP1MEN1ALDH1A1
SCHEMBL4006571 0.79 HSD11B1 (0.43)

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-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed