SCHEMBL4727798

SCHEMBL4727798

N[C@@H](Cc1cn(C(=O)O)cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CPB2 Q96IY4 8/20 0.42
SLC7A5 Q01650 2/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC1A3 P43003 1/20 0.41
CPB1 P15086 4/20 0.41
TYR P14679 5/20 0.41
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 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
SCHEMBL4726518 1.00 CYP1A2 (0.45) CYP1A2CPB2SLC7A5ALPIPKM
SCHEMBL358922 0.88 CYP1A2 (0.44) CYP1A2CPB2SLC7A5ALPIPKM
SCHEMBL7001068 0.88 SLC7A5 (0.44) CYP1A2CPB2SLC7A5ALPIPKM
SCHEMBL4437439 0.88 SLC7A5 (0.44) CYP1A2CPB2SLC7A5ALPIPKM
Hydrochloric Acid SCHEMBL14831326 0.87 CYP1A2 (0.43) CYP1A2CPB2SLC7A5ALPIPKM
SCHEMBL594580 0.85 CPB2 (0.42) CPB2CPB1
SCHEMBL27974517 0.84 CYP1A2 (0.46) CYP1A2CPB2SLC7A5ALPIPKM
SCHEMBL3003975 0.84 CPB2 (0.41) CYP1A2CPB2SLC7A5ALPIPKM
SCHEMBL3808000 0.84 CPB2 (0.42) CYP1A2CPB2SLC1A3CPB1GRIA1
SCHEMBL18074129 0.84 CPB2 (0.42) CYP1A2CPB2SLC1A3CPB1GRIA1

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
CN-110464823-A A kind of lavipeditum packet for helping to improve sleep quality ANHUI TANGREN PHARMACEUTICAL CO LTD 2019-11-19 CN disclosed
WO-2008128064-A2 TRUNCATED ANALOGS OF PEPTIDE AND POLYPEPTIDE THERAPEUTICS TRUSTEES OF TUFTS COLLEGE (US) 2008-10-23 WO disclosed
WO-2008022015-A2 RETRO-INVERSO INCRETIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-02-21 WO disclosed
US-20060003432-A1 Novel purified polypeptides from enterococcus faecalis AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-01-05 US disclosed
WO-2004013167-A2 PURIFIED POLYPEPTIDES FROM ENTEROCOCCUS FAECALIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-02-12 WO disclosed