SCHEMBL5596648

SCHEMBL5596648

CC(=O)NC(N)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52
GABRQ Q9UN88 2/20 0.52
CYP1A2 P05177 2/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46

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
SCHEMBL29019389 0.82 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7085362 0.77
SCHEMBL5596145 0.77 GNPAT (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9628151 0.77 FOLH1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11186670 0.77
SCHEMBL5543062 0.77 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28697108 0.76 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6840688 0.75 SIRT5 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6840416 0.75 SIRT5 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL28266647 0.75 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498276-B1 ECTOINE AND ECTOINE DERIVATIVES FOR USE IN VULVOVAGINAL CONDITIONS DISPROQUIMA SA (ES) 2020-09-23 EP disclosed
EP-3498276-A1 ECTOINE AND ECTOINE DERIVATIVES FOR USE IN VULVOVAGINAL CONDITIONS Laboratorios Litaphar, S.L. (ES) 2019-06-19 EP disclosed
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