SCHEMBL6178536

SCHEMBL6178536

O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccc(F)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.74
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
THRB P10828 1/20 0.60
PSEN1 P49768 2/20 0.54
PSEN2 P49810 2/20 0.54
APH1B Q8WW43 2/20 0.54
NCSTN Q92542 2/20 0.54
APH1A Q96BI3 2/20 0.54
PSENEN Q9NZ42 2/20 0.54
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
HSD17B10 Q99714 1/20 0.45
HTR7 P34969 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL6178529 1.00 TRPA1 (0.74) TRPA1MAPTSMN1; SMN2THRBPSEN1
SCHEMBL6177965 0.94 TRPA1 (0.64) TRPA1MAPTSMN1; SMN2THRBPSEN1
SCHEMBL6177960 0.94 TRPA1 (0.64) TRPA1MAPTSMN1; SMN2THRBPSEN1
SCHEMBL6175418 0.91 TRPA1 (0.60) TRPA1MAPTSMN1; SMN2THRBPSEN1
SCHEMBL6175423 0.91 TRPA1 (0.60) TRPA1MAPTSMN1; SMN2THRBPSEN1
SCHEMBL6177865 0.87 TRPA1 (0.86) TRPA1MAPTSMN1; SMN2THRBPSEN1
SCHEMBL6177006 0.87 TRPA1 (0.86) TRPA1MAPTSMN1; SMN2THRBPSEN1
SCHEMBL6177009 0.87 TRPA1 (0.86) TRPA1MAPTSMN1; SMN2THRBPSEN1
SCHEMBL6178865 0.86 TRPA1 (1.00) TRPA1MAPTPSEN1PSEN2APH1B
SCHEMBL6178870 0.86 TRPA1 (1.00) TRPA1MAPTPSEN1PSEN2APH1B

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-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1165510-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-02 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US disclosed
WO-2000058285-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO disclosed