SCHEMBL6177865

SCHEMBL6177865

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

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.86
PSEN1 P49768 5/20 0.70
PSEN2 P49810 5/20 0.70
APH1B Q8WW43 5/20 0.70
NCSTN Q92542 5/20 0.70
APH1A Q96BI3 5/20 0.70
PSENEN Q9NZ42 5/20 0.70
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
HTR7 P34969 1/20 0.53
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.49
PTBP1 P26599 1/20 0.49

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
SCHEMBL6177006 1.00 TRPA1 (0.86) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6177009 1.00 TRPA1 (0.86) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6179985 0.93 PSEN1 (0.79) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6179987 0.93 PSEN1 (0.79) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6178870 0.93 TRPA1 (1.00) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6178865 0.93 TRPA1 (1.00) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6178536 0.87 TRPA1 (0.74) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6178529 0.87 TRPA1 (0.74) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6178578 0.87 PSEN1 (0.67) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6178585 0.87 PSEN1 (0.67) TRPA1PSEN1PSEN2APH1BNCSTN

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
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 claimed
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 claimed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US claimed
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 claimed
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