SCHEMBL4587259

SCHEMBL4587259

Cc1nc(C[C@@H](N)C(=O)O)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP1A2 P05177 2/20 0.44
GRIA1 P42261 4/20 0.43
GRIA3 P42263 4/20 0.43
GRIA2 P42262 4/20 0.43
GRIA4 P48058 3/20 0.43
MAPT P10636 3/20 0.43
GRIK1 P39086 2/20 0.43
GRIK5 Q16478 2/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43
GRIK4 Q16099 1/20 0.43

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
SCHEMBL1641338 1.00 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL1539193 1.00 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Hydrochloric Acid SCHEMBL25218691 0.98 SLC7A5 (0.44) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Phenol SCHEMBL28180134 0.90 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2GRIA2MAPT
SCHEMBL11159527 0.83 ALDH1A1 (0.38) SLC7A5ALDH1A1
SCHEMBL11159524 0.83 ALDH1A1 (0.38) SLC7A5ALDH1A1
Hydrochloric Acid SCHEMBL25216752 0.81 ALDH1A1 (0.40) SLC7A5ALDH1A1
SCHEMBL59808 0.81 SLC7A5 (0.46) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL25660495 0.81 SLC7A5 (0.46) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
SCHEMBL59809 0.81 SLC7A5 (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737884-A4 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION UNIV QUEENSLAND (AU) 2008-10-29 EP disclosed
EP-1737884-A1 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION The University of Queensland (AU) 2007-01-03 EP disclosed
EP-1402021-A4 A GENE AND USES THEREFOR AUTOGEN RES PTY LTD (AU) 2005-11-09 EP disclosed
WO-2005090388-A1 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION THE UNIVERSITY OF QUEENSLAND (AU) 2005-09-29 WO disclosed
EP-1402021-A1 A GENE AND USES THEREFOR Autogen Research Pty. Ltd. (AU) 2004-03-31 EP disclosed
WO-2002095020-A1 A GENE AND USES THEREFOR AUTOGEN RESEARCH PTY LTD (AU) 2002-11-28 WO disclosed