SCHEMBL6177053

SCHEMBL6177053

Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.63
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 3/20 0.49
TSHR P16473 3/20 0.49
MMP2 P08253 1/20 0.49
ACHE P22303 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44

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
SCHEMBL6177061 1.00 NPSR1 (0.63) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6177055 1.00 NPSR1 (0.63) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6178042 0.86 TRPA1 (0.56) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL19500995 0.86 NPSR1 (0.62) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL13941966 0.85 NPSR1 (0.62) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL13941964 0.85 NPSR1 (0.62) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29278809 0.81 NPSR1 (0.68) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL28041776 0.78 NPSR1 (0.56) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29997768 0.77 NPSR1 (0.52) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6177618 0.76 PSEN1 (0.69) NPSR1MAPTALDH1A1SMN1; SMN2LMNA

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 2 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-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed