SCHEMBL4606990

SCHEMBL4606990

Cc1ccc(C2CCCC2C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GRIA4 P48058 1/20 0.43
FFAR1 O14842 1/20 0.43
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 2/20 0.42
EPHX1 P07099 1/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
KDM1A O60341 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
ITGA5 P08648 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL4608244 0.84 SIRT2 (0.40) SLC6A2SLC6A4EPHX1SIRT1SIRT2
SCHEMBL4608144 0.83 SLC9A1 (0.50) SLC6A2SLC6A4SIRT1SIRT2KDM1A
SCHEMBL4371167 0.83 SLC6A4 (0.43) GRIA4SLC6A2SLC6A4EPHX1SIRT1
SCHEMBL4608380 0.83 SIRT2 (0.52) GRIA4SIRT1SIRT2
SCHEMBL4605333 0.83 HRH3 (0.46) GRIA4SLC6A2SLC6A4SIRT1SIRT2
SCHEMBL4371164 0.83 SLC6A4 (0.43) GRIA4SLC6A2SLC6A4EPHX1SIRT1
SCHEMBL4606839 0.82 KCNQ3 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A2
SCHEMBL4606997 0.82 SLC6A2 (0.63) ALDH1A1CYP2C9SLC6A2SLC6A4EPHX1
SCHEMBL6778641 0.81 FFAR1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13545677 0.81 SLC6A2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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