SCHEMBL5596643

SCHEMBL5596643

CC(=O)NNCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.52
LMNA P02545 2/20 0.43
SLC22A6 Q4U2R8 2/20 0.43
TSHR P16473 6/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
AKR1B1 P15121 1/20 0.41
PRMT1 Q99873 1/20 0.40
GPR84 Q9NQS5 6/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 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
SCHEMBL5596142 0.86 ADRA1A (0.45) ADRA1ALMNASLC22A6TSHRNFKB1
Hydrochloric Acid SCHEMBL8654453 0.84 ADRA1A (0.43) ADRA1ALMNASLC22A6TSHRPRMT1
Water SCHEMBL7773341 0.84 ADRA1A (0.43) ADRA1ALMNASLC22A6TSHRPRMT1
SCHEMBL285421 0.76 ADRA1A (0.83) ADRA1ALMNASLC22A6TSHRNFKB1
SCHEMBL24570655 0.76
SCHEMBL2015864 0.75 LMNA (0.53) ADRA1ALMNASLC22A6TSHRNFKB1
Hydrochloric Acid SCHEMBL11026786 0.74 ADRA1A (0.79) ADRA1ALMNASLC22A6TSHRNFKB1
SCHEMBL20240413 0.74 AKR1B1 (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL1618390 0.74 LMNA (0.44) ADRA1ALMNASLC22A6TSHRNFKB1
SCHEMBL9539681 0.74 LMNA (0.40) ADRA1ALMNASLC22A6TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
EP-1077692-B1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME WARNER LAMBERT CO (US) 2004-07-28 EP disclosed
EP-1077692-A1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME Warner-Lambert Company LLC (US) 2001-02-28 EP disclosed
WO-1999059573-A9 STABILIZED PHARMACEUTICAL PREPARATIONS OF GAMMA-AMINOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME WARNER LAMBERT CO (US) 2000-05-04 WO disclosed
WO-1999059573-A1 STABILIZED PHARMACEUTICAL PREPARATIONS OF GAMMA-AMINOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME WARNER-LAMBERT COMPANY (US) 1999-11-25 WO disclosed