SCHEMBL27488015

SCHEMBL27488015

COC(=O)CCCC(C)Cc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.43
FOLH1 Q04609 2/20 0.43
SLC7A5 Q01650 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
SCN9A Q15858 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 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
SCHEMBL27505825 0.84 PNMT (0.48) FOLH1SLC7A5MEN1KMT2AMAOB
SCHEMBL27506588 0.83 CA12 (0.47) MEN1KMT2A
SCHEMBL27487295 0.83 LMNA (0.48) MEN1KMT2A
SCHEMBL27665676 0.79 SLC1A1 (0.43) SLC1A1SLC7A5PPARGPPARAMEN1
SCHEMBL9816405 0.78 PPARG (0.40) PPARGPPARAKMT2AMAOA
SCHEMBL29263663 0.78 HDAC6 (0.52)
SCHEMBL9235143 0.78 FFAR1 (0.42) SLC1A1MEN1KMT2A
SCHEMBL901672 0.77 TAAR1 (0.53) MAOB
SCHEMBL27505437 0.77 SLC1A1 (0.47) SLC1A1SLC7A5PPARGPPARAMAOB
SCHEMBL27488016 0.76 SLC1A1 (0.55) SLC1A1PPARGPPARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1355784-A Mono-and disubstituted 3-propyl-gamma-aminobutyric acids WARNER LAMBERT CO (US) 2002-06-26 CN claimed
CN-101862317-A The pregabalin derivant that is used for the treatment of fibromyalgia and other disease WARNER LAMBERT CO 2010-10-20 CN disclosed
CN-101283995-A Different pharmaceutical uses alpha2delta ligands WARNER LAMBERT CO (US) 2008-10-15 CN disclosed
CN-1310872-C Mono- and disubstituted 3-propyl gamma-aminobutyric acids WARNER LAMBERT CO (US) 2007-04-18 CN disclosed
CN-1878546-A Combination comprising an alpha-2 delta ligand and an SSRI and/or SNRI for the treatment of depression and anxiety WARNER LAMBERT CO (US) 2006-12-13 CN disclosed
CN-1726015-A Alpha 2 delta ligands for different pharmaceutical uses WARNER LAMBERT CO (US) 2006-01-25 CN disclosed
CN-1726023-A Pregabalin derivatives for the treatment of fibromyalgia and other diseases WARNER LAMBERT CO (US) 2006-01-25 CN disclosed
CN-1678298-A Use of an alpha2delta ligand such as gabapentin or pregabalin for treating ttention deficit hyperactivity disorder WARNER LAMBERT CO (US) 2005-10-05 CN disclosed
CN-1660779-A Mono- and disubstituted 3-propyl gamma-aminobutyric acids WARNER LAMBERT CO (US) 2005-08-31 CN disclosed
CN-1625393-A Alpha 2 delta ligands to treat tinnitus WARNER LAMBERT CO (US) 2005-06-08 CN disclosed
CN-1196671-C Mono-and disubstituted 3-propyl-gamma-aminobutyric acids WARNER LAMBERT CO (US) 2005-04-13 CN disclosed
CN-1355784-A Mono-and disubstituted 3-propyl-gamma-aminobutyric acids WARNER LAMBERT CO (US) 2002-06-26 CN disclosed