SCHEMBL3433675

SCHEMBL3433675

CC(C)(C)OC(=O)CCC(C(=O)O)C1CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.38
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 4/20 0.38
DHFR P00374 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5213311 0.76 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL3607539 0.75 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL5718233 0.75 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL27503119 0.75 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4552041 0.73 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4
SCHEMBL6047342 0.72 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL5718305 0.72 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL30311092 0.70 MEN1 (0.47) TSHR
SCHEMBL7367114 0.70 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4529733 0.70 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
EP-2260043-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-15 EP disclosed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO disclosed