SCHEMBL27680646

SCHEMBL27680646

C[C@@H](CF)c1ccccc1.O=S(=O)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
TAAR1 Q96RJ0 3/20 0.47
TRPA1 O75762 4/20 0.41
RIPK1 Q13546 1/20 0.41
GRIA4 P48058 2/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL27680631 1.00 AOC3 (0.47) AOC3TAAR1TRPA1RIPK1GRIA4
SCHEMBL27797487 1.00 AOC3 (0.47) AOC3TAAR1TRPA1RIPK1GRIA4
SCHEMBL1031364 0.87 TAAR1 (0.58) AOC3TAAR1TRPA1RIPK1ALDH1A1
SCHEMBL1416410 0.87 TAAR1 (0.58) AOC3TAAR1TRPA1RIPK1ALDH1A1
SCHEMBL1033147 0.87 TAAR1 (0.58) AOC3TAAR1TRPA1RIPK1ALDH1A1
SCHEMBL27699812 0.82 HDAC4 (0.49) AOC3TAAR1TRPA1RIPK1GRIA4
SCHEMBL28751353 0.82 TAAR1 (0.48) AOC3TAAR1TRPA1RIPK1GRIA4
SCHEMBL27548676 0.80 TAAR1 (0.47) AOC3TAAR1TRPA1RIPK1GRIA4
SCHEMBL1027356 0.78 ALDH1A1 (0.40) GRIA4ALDH1A1LMNA
SCHEMBL1031298 0.78 ALDH1A1 (0.40) GRIA4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103073460-A Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG 2013-05-01 CN disclosed
CN-101068801-B Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for the treatment of disorders which respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG 2012-11-14 CN disclosed
CN-101421243-B Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG 2012-05-30 CN disclosed
CN-101039900-B 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine d3 receptor ABBOTT GMBH & CO KG 2012-03-21 CN disclosed
CN-101421243-A Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG (DE) 2009-04-29 CN disclosed
CN-101068801-A Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for the treatment of disorders which respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG (DE) 2007-11-07 CN disclosed
CN-101039904-A Is suitable for treating dopamine D3Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed
CN-101039900-A 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine d3 receptor ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed