SCHEMBL7461513

SCHEMBL7461513

CC(C)S(=O)(=O)NCC(C)(C)C1CCC(O)(c2cccs2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
SLC6A4 P31645 1/20 0.35
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCR1 P32246 1/20 0.33
NPY5R Q15761 4/20 0.32
SIGMAR1 Q99720 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TP53 P04637 2/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
KCNA3 P22001 1/20 0.31
GRIA4 P48058 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL7470699 0.82 OPRM1 (0.37) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL7478542 0.80 GRIA2 (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL7469696 0.68 GRIA1 (0.34) GRIA4GRIA2
SCHEMBL1308581 0.64
SCHEMBL1309560 0.61 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL1310931 0.61 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL2629519 0.61 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL7468190 0.61 GRIA2 (0.45) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL7469275 0.61 GRIA2 (0.47) OPRM1OPRD1OPRK1OPRL1NPY5R
SCHEMBL6122214 0.60 KMT2A (0.55) HTTLMNATSHR

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-0937708-B1 Sulphonamide derivatives LILLY CO ELI (US) 2002-12-18 EP disclosed
US-6362230-B1 ALZHEIMER'S DISEASE ELI LILLY AND COMPANY 2002-03-26 US disclosed
EP-0937708-A2 sulphonamide derivatives ELI LILLY AND COMPANY (US) 1999-08-25 EP disclosed