SCHEMBL5145391

SCHEMBL5145391

CC(c1ccc(Cl)cc1F)C(CNS(=O)(=O)C(C)(C)C)c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.36
CNR1 P21554 6/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR1 P21453 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C9 P11712 1/20 0.35
MDM2 Q00987 1/20 0.35
GRIA4 P48058 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CCR2 P41597 1/20 0.33

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
SCHEMBL5147333 0.84 CA1 (0.40) CNR2CNR1CA1CA2GRIA4
SCHEMBL5145543 0.79 SLC6A2 (0.44) CNR2CNR1CA1CA2CYP2C9
SCHEMBL5146876 0.79 SLC6A2 (0.44) CNR2CNR1CA1CA2CYP2C9
SCHEMBL5145388 0.72 CNR1 (0.52) CNR2CNR1CYP2C9
SCHEMBL5145233 0.70 MAPT (0.37) GRIA4
SCHEMBL5147477 0.67 CA1 (0.59) CA1CA2CYP2C9CYP3A4
SCHEMBL4692137 0.67 MEN1 (0.40) CNR2CNR1
SCHEMBL28740432 0.66 SCN1A (0.44) CNR2CNR1CYP2C9PSEN1PSEN2
SCHEMBL5147402 0.66 CA1 (0.63) CA1CA2CYP2C9CYP3A4
SCHEMBL5147491 0.66 CA1 (0.51) CNR2CNR1CA1CA2CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663113-A4 SUBSTITUTED SULFONAMIDES MERCK & CO INC (US) 2007-06-13 EP claimed
EP-1663113-A2 SUBSTITUTED SULFONAMIDES Merck & Co., Inc. (US) 2006-06-07 EP claimed
WO-2005027837-A2 SUBSTITUTED SULFONAMIDES MERCK & CO., INC. (US) 2005-03-31 WO claimed