SCHEMBL6178750

SCHEMBL6178750

COc1ccc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.65
PSEN2 P49810 2/20 0.65
APH1B Q8WW43 2/20 0.65
NCSTN Q92542 2/20 0.65
APH1A Q96BI3 2/20 0.65
PSENEN Q9NZ42 2/20 0.65
LMNA P02545 1/20 0.61
TRPA1 O75762 2/20 0.60
HCRTR1 O43613 5/20 0.55
HCRTR2 O43614 5/20 0.55
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.51
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50

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
SCHEMBL6178753 1.00 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6179987 0.89 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6179985 0.89 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6180624 0.89 LMNA (0.62) LMNATRPA1HCRTR1HCRTR2ALDH1A1
SCHEMBL6180620 0.89 LMNA (0.62) LMNATRPA1HCRTR1HCRTR2ALDH1A1
SCHEMBL6177934 0.88 TRPA1 (0.80) LMNATRPA1HCRTR1HCRTR2ALDH1A1
SCHEMBL6177932 0.88 TRPA1 (0.80) LMNATRPA1HCRTR1HCRTR2ALDH1A1
SCHEMBL6179052 0.86 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6179047 0.86 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6178096 0.86 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A

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