SCHEMBL3908295

SCHEMBL3908295

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
SLC7A5 Q01650 1/20 0.41
CACNA2D1 P54289 2/20 0.40
CACNB3 P54284 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
SCHEMBL4905364 1.00 BHMT (0.41) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL4397917 0.85 GABRP (0.46) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL10212359 0.85 GABRP (0.46) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL12132308 0.85 GABRP (0.46) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL27748429 0.83 BHMT (0.40) BHMTGABRPGABRDGABRA1GABRB1
Aspartic Acid SCHEMBL23454434 0.80 SLC7A5 (0.58) BHMTSLC7A5SLC1A3SLC1A2SLC1A1
Aspartic Acid SCHEMBL464907 0.80 SLC7A5 (0.58) BHMTSLC7A5SLC1A3SLC1A2SLC1A1
Aspartic Acid SCHEMBL22092469 0.80 SLC7A5 (0.58) BHMTSLC7A5SLC1A3SLC1A2SLC1A1
Aspartic Acid SCHEMBL939864 0.80 SLC7A5 (0.58) BHMTSLC7A5SLC1A3SLC1A2SLC1A1
Aspartic Acid SCHEMBL464908 0.80 SLC7A5 (0.58) BHMTSLC7A5SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258099-B2 Peptide capable of inhibiting the peptidyl prolyl isomerase activity of peptidyl-prolyl cis-trans isomerases; cancer or neurodegenerative disease MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-09-04 US disclosed
JP-2009062326-A INTERLEUKIN 4 PRODUCTION INHIBITOR KYOWA HAKKO BIO CO LTD 2009-03-26 JP disclosed
WO-2009016025-A1 PROCESS FOR THE SYNTHESIS OF NA- BETA-ALANINATE AND CALCIUM PANTOTHENATE DSM IP ASSETS B.V. (NL) 2009-02-05 WO disclosed
US-20080214470-A1 Peptide capable of inhibiting the peptidyl prolyl isomerase activity of peptidyl-prolyl cis-trans isomerases; cancer or neurodegenerative disease VERNALIS PLC (GB) 2008-09-04 US disclosed
EP-1776130-A2 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF Vernalis PLC (GB) 2007-04-25 EP disclosed
WO-2006019982-A2 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF VERNALIS PLC (GB) 2006-02-23 WO disclosed
EP-0220245-B1 METHOD FOR DETERMINING MIMOTOPES COSELCO MIMOTOPES PTY. LTD. (AU) 1992-07-08 EP disclosed
US-4833092-A Method for determining mimotopes COMMONWEALTH SERUM LABORATORIES COMMISSION (AU) 1989-05-23 US disclosed
EP-0220245-A4 METHOD FOR DETERMINING MIMOTOPES. COMMW SERUM LAB COMMISSION (AU) 1988-01-26 EP disclosed
EP-0220245-A1 METHOD FOR DETERMINING MIMOTOPES. COMMW SERUM LAB COMMISSION (AU) 1987-05-06 EP disclosed
WO-1986006487-A1 METHOD FOR DETERMINING MIMOTOPES COMMONWEALTH SERUM LABORATORIES COMMISSION (AU) 1986-11-06 WO disclosed