SCHEMBL6575437

SCHEMBL6575437

CCCS(=O)(=O)NC1CCCC1c1ccc(N(CCS(C)(=O)=O)Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 11/20 0.42
GRIA2 P42262 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CNR2 P34972 4/20 0.33
CYP2D6 P10635 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A9 P48067 1/20 0.33
KCNH2 Q12809 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL6573321 0.90 GRIA4 (0.42) GRIA4GRIA2PSEN1PSEN2APH1B
SCHEMBL6762192 0.90 GRIA4 (0.40) GRIA4GRIA2PSEN1PSEN2APH1B
SCHEMBL6573845 0.90 GRIA4 (0.41) GRIA4GRIA2PSEN1PSEN2APH1B
SCHEMBL6573336 0.86 GRIA4 (0.41) GRIA4GRIA2PSEN1PSEN2APH1B
SCHEMBL6573066 0.80 GRIA4 (0.62) GRIA4GRIA2PSEN1PSEN2APH1B
SCHEMBL6574456 0.77 GRIA4 (0.47) GRIA4GRIA2PSEN1PSEN2APH1B
SCHEMBL6573312 0.76 GRIA4 (0.61) GRIA4GRIA2CNR2KCNH2
SCHEMBL6573317 0.76 GRIA4 (0.61) GRIA4GRIA2CNR2KCNH2
SCHEMBL6762188 0.76 GRIA4 (0.58) GRIA4GRIA2KDM1AKCNH2
SCHEMBL6762187 0.76 GRIA4 (0.58) GRIA4GRIA2KDM1AKCNH2

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-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 WO disclosed