SCHEMBL5596641

SCHEMBL5596641

CCC(NNC(C)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TGFBR1 P36897 3/20 0.39
MME P08473 2/20 0.34
POLB P06746 1/20 0.34
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
ACE P12821 1/20 0.31

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
SCHEMBL29013384 0.86 TGFBR1 (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29013382 0.86 TGFBR1 (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7279508 0.80 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7279513 0.80 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL19814017 0.78 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL27877720 0.78 ALDH1A1 (0.64) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL19814173 0.78 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL30164504 0.78 ALDH1A1 (0.64) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL19814016 0.78 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29172628 0.77 FOLH1 (0.53) FOLH1NAALAD2

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