SCHEMBL4453499

SCHEMBL4453499

C[N+](C)(C)C(CCc1nc(C[C@H](N)C(=O)O)c[nH]1)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP1A2 P05177 1/20 0.33
GRIA1 P42261 2/20 0.32
GRIA3 P42263 2/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MPO P05164 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 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
SCHEMBL4453493 1.00 SLC7A5 (0.36) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL2381464 0.87 CYP3A4 (0.34) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL263447 0.81 SLC7A5 (0.37) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL8001783 0.81 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL849757 0.81 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL4453505 0.80 SLC7A5 (0.41) SLC7A5CYP3A4GRIA1GRIA3GRIA2
SCHEMBL30443813 0.79 SLC7A5 (0.41) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL29022742 0.79 SLC7A5 (0.41) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL233540 0.79 SLC7A5 (0.39) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL29022786 0.79 SLC7A5 (0.39) SLC7A5CYP3A4CYP1A2GRIA1GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
WO-2003006990-A1 MODIFIERS OF THE P21 PATHWAY AND METHODS OF USE EXELIXIS, INC. (US) 2003-01-23 WO disclosed