SCHEMBL5717025

SCHEMBL5717025

CC[C@@]1(C(=O)O)CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
TRPV4 Q9HBA0 1/20 0.37
SLC6A9 P48067 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.35
CCKBR P32239 1/20 0.35
ATAD2 Q6PL18 1/20 0.34
TRPA1 O75762 1/20 0.33
HTT P42858 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TP53 P04637 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
SCHEMBL5717017 0.88 HCRTR1 (0.44) TRPV4SLC6A9ERAP1KMT2AALDH1A1
SCHEMBL5717200 0.83 EPHX2 (0.46) EPHX2TRPV4SLC6A9ERAP1KMT2A
SCHEMBL5717229 0.83 ALDH1A1 (0.43) EPHX2TRPV4ALDH1A1TRPA1HCRTR1
SCHEMBL5717206 0.83 ALDH1A1 (0.43) EPHX2TRPV4ALDH1A1TRPA1HCRTR1
SCHEMBL5716994 0.71 HCRTR1 (0.46) TRPV4SLC6A9ERAP1KMT2AALDH1A1
SCHEMBL5717180 0.70 ITGB1 (0.38) ALDH1A1L3MBTL1MAPTTRPA1
SCHEMBL31449946 0.70 EPHX2 (0.49) EPHX2TRPV4KMT2AALDH1A1TSHR
SCHEMBL5717070 0.70 EPHX2 (0.56) EPHX2ALDH1A1TSHRHTTHCRTR1
SCHEMBL5717032 0.70 EPHX2 (0.56) EPHX2ALDH1A1TSHRHTTHCRTR1
SCHEMBL5717014 0.70 ITGB1 (0.36) KMT2AALDH1A1MEN1MAPTTRPA1

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
EP-1664010-A1 SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS Vernalis (R&D) Limited (GB) 2006-06-07 EP disclosed
WO-2005068448-A1 SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-07-28 WO disclosed