SCHEMBL6178042

SCHEMBL6178042

Cc1ccc(S(=O)(=O)N2CCC(C)C2c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.56
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 4/20 0.45
THRB P10828 1/20 0.45
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.43
FKBP1A P62942 1/20 0.43
ACHE P22303 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL6179916 0.88 TRPA1 (0.52) TRPA1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6177053 0.86 NPSR1 (0.63) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6177061 0.86 NPSR1 (0.63) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6177055 0.86 NPSR1 (0.63) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7564357 0.84 TRPA1 (0.53) TRPA1NPSR1LMNATHRBGLA
SCHEMBL7390008 0.80 KMT2A (0.50) TRPA1NPSR1LMNAGLASMN1; SMN2
SCHEMBL3731913 0.77 TRPA1 (0.86) TRPA1NPSR1LMNATHRBGLA
SCHEMBL3731910 0.77 TRPA1 (0.86) TRPA1NPSR1LMNATHRBGLA
SCHEMBL6177808 0.77 TRPA1 (0.86) TRPA1NPSR1LMNATHRBGLA
SCHEMBL6178197 0.77 TRPA1 (0.86) TRPA1NPSR1LMNATHRBGLA

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