SCHEMBL4606578

SCHEMBL4606578

NC(=O)C1CCCC1c1ccc(-c2ccc3c(c2)CCC3=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.51
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTSC P53634 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
KCNH2 Q12809 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PRKCI P41743 1/20 0.35
PGR P06401 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MAPK14 Q16539 1/20 0.34
HTR1A P08908 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
SCHEMBL4606583 0.82 HSD17B1 (0.52) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL4606553 0.76 SLC6A2 (0.61) SLC6A2SLC6A4MAOB
SCHEMBL4607106 0.74 SLC6A4 (0.43) SLC6A2SLC6A4HRH3SIRT2SIRT1
SCHEMBL4606744 0.72 KDM1A (0.43) SLC6A2SLC6A4HSD17B10MAOAMAOB
SCHEMBL28655414 0.72 HSD17B1 (0.78) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL4604971 0.71 SLC6A2 (0.52) SLC6A2SLC6A4MAOAMAOB
SCHEMBL4607726 0.71 HRH3 (0.46) SLC6A2SLC6A4CTSCHRH3KCNH2
SCHEMBL4608244 0.71 SIRT2 (0.40) SLC6A2SLC6A4HRH3SIRT2SIRT1
SCHEMBL4608530 0.71 GRIA4 (0.59) HSD17B1KCNH2
SCHEMBL4608166 0.70 SLC6A2 (0.42) SLC6A2SLC6A4CYP1A2MAOBSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP claimed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US claimed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP claimed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 WO claimed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 WO disclosed