SCHEMBL19742925

SCHEMBL19742925

CC(=O)N(C(C)=O)[C@H](CCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.43
CPB2 Q96IY4 6/20 0.42
GSR P00390 1/20 0.41
RNPEP Q9H4A4 1/20 0.39
PAOX Q6QHF9 1/20 0.34
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
HDAC3 O15379 1/20 0.33
GABBR2 O75899 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRR2 P28476 1/20 0.33
SLC6A1 P30531 1/20 0.33

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
SCHEMBL4727762 1.00 GABRR1 (0.43) GABRR1CPB2GSRRNPEPPAOX
SCHEMBL4727761 1.00 GABRR1 (0.43) GABRR1CPB2GSRRNPEPPAOX
SCHEMBL7593236 0.94 CPB2 (0.49) GABRR1CPB2GSRRNPEPPAOX
SCHEMBL7593232 0.94 CPB2 (0.49) GABRR1CPB2GSRRNPEPPAOX
SCHEMBL8200953 0.92 CPB2 (0.51) GABRR1CPB2GSRRNPEPPAOX
Alanine SCHEMBL28591585 0.88 GSR (0.47) GABRR1CPB2GSRRNPEPPAOX
D-Alanine SCHEMBL4086747 0.88 GSR (0.47) GABRR1CPB2GSRRNPEPPAOX
SCHEMBL4902761 0.84 CPB2 (0.44) GABRR1CPB2GSRRNPEPPAOX
SCHEMBL27731517 0.84 CPB2 (0.44) GABRR1CPB2GSRRNPEPPAOX
SCHEMBL27731516 0.84 CPB2 (0.44) GABRR1CPB2GSRRNPEPPAOX

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
US-12259397-B2 Biomarkers related to organ function University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-03-25 US disclosed
US-20220102000-A1 PREDICTING BLOOD METABOLITES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-03-31 US disclosed
US-20200284805-A1 BIOMARKERS RELATED TO ORGAN FUNCTION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-09-10 US disclosed
US-20190310269-A1 SYSTEMS AND METHODS FOR MEASURING OBESITY USING METABOLOME ANALYSIS HUMAN LONGEVITY, INC. 2019-10-10 US disclosed
US-20190156919-A1 DETERMINING RELATIONSHIPS BETWEEN RISKS FOR BIOLOGICAL CONDITIONS AND DYNAMIC ANALYTES ARIVALE, INC. (US) 2019-05-23 US disclosed
US-20180320217-A1 METHODS FOR SAMPLING AND MEASURING ORAL LAVAGE PROTEINS THE PROCTER & GAMBLE COMPANY 2018-11-08 US disclosed
US-20170370954-A1 Biomarkers for Fatty Liver Disease and Methods Using the Same METABOLON, INC. 2017-12-28 US disclosed