SCHEMBL4453505

SCHEMBL4453505

C[N+](C)(C)C(CCc1ncc(C[C@H](N)C(=O)O)[nH]1)NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.41
CYP3A4 P08684 1/20 0.41
GRIA1 P42261 4/20 0.36
GRIA3 P42263 4/20 0.36
GRIA2 P42262 3/20 0.36
GRIA4 P48058 3/20 0.36
SLC1A3 P43003 1/20 0.35
HTR1B P28222 2/20 0.34
MTOR P42345 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK4 Q16099 1/20 0.33
GRIK5 Q16478 1/20 0.33
HRH1 P35367 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL29637251 0.84 SLC7A5 (0.43) SLC7A5CYP3A4GRIA1GRIA3GRIA2
SCHEMBL849758 0.81 SLC7A5 (0.51) SLC7A5CYP3A4GRIA1GRIA3GRIA2
SCHEMBL4453493 0.80 SLC7A5 (0.36) SLC7A5CYP3A4GRIA1GRIA3GRIA2
SCHEMBL4453499 0.80 SLC7A5 (0.36) SLC7A5CYP3A4GRIA1GRIA3GRIA2
SCHEMBL29022740 0.79 SLC7A5 (0.47) SLC7A5CYP3A4GRIA1GRIA3GRIA2
SCHEMBL233541 0.79 SLC7A5 (0.43) SLC7A5CYP3A4GRIA1GRIA3GRIA2
SCHEMBL29356218 0.76 SLC7A5 (0.51) SLC7A5CYP3A4GRIA1GRIA3GRIA2
SCHEMBL8319666 0.75 CYP3A4 (0.48) SLC7A5CYP3A4GRIA1GRIA3GRIA2
SCHEMBL5292853 0.74 SLC7A5 (0.53) SLC7A5CYP3A4GRIA1GRIA3GRIA2
SCHEMBL1539194 0.74 SLC7A5 (0.53) SLC7A5CYP3A4GRIA1GRIA3GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO 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