SCHEMBL8824879

SCHEMBL8824879

Cn1cncc1CC(N)C(=O)O.Cn1cncc1CC(N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.51
▸ GRIA4 P48058 6/20 0.45
▸ GRIA1 P42261 6/20 0.45
▸ GRIA3 P42263 6/20 0.45
▸ GRIA2 P42262 5/20 0.45
▸ SLC7A5 Q01650 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ NOS1 P29475 3/20 0.45
▸ HSD17B10 Q99714 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ XIAP P98170 1/20 0.41

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
SCHEMBL28560 1.00 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL28559 1.00 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL8824882 1.00 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL4587261 1.00 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA3GRIA2
Hydrochloric Acid SCHEMBL7049998 0.98 SLC1A3 (0.50) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL12610414 0.91 SLC1A3 (0.44) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL12610410 0.91 SLC1A3 (0.44) SLC1A3GRIA4GRIA1GRIA3GRIA2
Homoserine SCHEMBL28894150 0.91 NOS1 (0.45) SLC1A3GRIA4GRIA1GRIA3GRIA2
Sarcosine SCHEMBL16540745 0.89 SLC1A3 (0.43) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL15210329 0.89 SLC1A3 (0.43) SLC1A3GRIA4GRIA1GRIA3GRIA2

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-5628328-A ADMINISTERING A METABOLIC MARKER FOR 3-METHYLHISTIDINE TO A HUMAN, PERIODICALLY REMOVING BLOOD OR URINE SAMPLES FROM SUBJECT, MEASURING MARKER IN EACH SAMPLE, GENERATING A MATHEMATICAL MODEL FROM MEASUREMENTS AND CALCULATING MASS IOWA STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-05-13 — — US disclosed
Send feedback