SCHEMBL10425545

SCHEMBL10425545

Cn1cnc(SSc2ncn(C)c2C[C@H](N)C(=O)O)c1C[C@H](N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 8/20 0.47
GRIA1 P42261 8/20 0.47
GRIA3 P42263 8/20 0.47
GRIA2 P42262 7/20 0.47
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
GRIK3 Q13003 2/20 0.38
GRIK4 Q16099 2/20 0.38
GRIK5 Q16478 2/20 0.38
SLC1A3 P43003 1/20 0.38
SLC7A5 Q01650 3/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL22388691 1.00 GRIA4 (0.47) GRIA4GRIA1GRIA3GRIA2GRIK1
SCHEMBL13201930 0.80 GRIA4 (0.48) GRIA4GRIA1GRIA3GRIA2GRIK1
SCHEMBL10425786 0.80 GRIA4 (0.48) GRIA4GRIA1GRIA3GRIA2GRIK1
SCHEMBL23789393 0.77 GRIA4 (0.32) GRIA4GRIA1GRIA3GRIA2
SCHEMBL17308661 0.76 GRIA2 (0.46) GRIA4GRIA1GRIA3GRIA2GRIK1
SCHEMBL5289522 0.75 CYP2C19 (0.49) GRIA4GRIA1GRIA3GRIA2
SCHEMBL17002135 0.71 GRIA2 (0.47) GRIA4GRIA1GRIA3GRIA2GRIK1
SCHEMBL19065057 0.71 GRIA2 (0.43) GRIA4GRIA1GRIA3GRIA2GRIK1
SCHEMBL17293207 0.71 GRIA2 (0.43) GRIA4GRIA1GRIA3GRIA2GRIK1
SCHEMBL20272576 0.70 CYP1A2 (0.42) GRIA4GRIA1GRIA3GRIA2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4898878-A Antioxidant thiohistidine compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON (US) 1990-02-06 US disclosed