SCHEMBL27488016

SCHEMBL27488016

CC(CCC(C)C(=O)O)Cc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.55
PPARG P37231 4/20 0.48
PPARA Q07869 3/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAOB P27338 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
NR4A2 P43354 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL14640308 0.87 SLC1A1 (0.60) SLC1A1PPARGPPARAMEN1KMT2A
SCHEMBL11806475 0.87 SLC1A1 (0.60) SLC1A1PPARGPPARAMEN1KMT2A
SCHEMBL27530653 0.87 SLC1A1 (0.47) SLC1A1PPARGPPARAMEN1KMT2A
SCHEMBL27751258 0.84 SLC1A1 (0.50) SLC1A1PPARGPPARAMEN1KMT2A
SCHEMBL27487296 0.82 CYP1A2 (0.53) MEN1KMT2ACYP2C9TSHRCYP2C19
SCHEMBL27505826 0.82 PNMT (0.54) PPARGPPARAMAOBTSHRCTSS
SCHEMBL27506589 0.81 TRPA1 (0.47) PPARGPPARAKMT2ACYP2D6CYP2C9
SCHEMBL20093443 0.81 SLC1A1 (0.45) SLC1A1PPARGPPARAMAOB
SCHEMBL14402869 0.79 TAAR1 (0.43) SLC1A1MAOB
SCHEMBL5591386 0.79 SLC1A1 (0.66) 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