SCHEMBL8015345

SCHEMBL8015345

C[C@@H](CN)C[C@H](N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.62
SLC1A2 P43004 7/20 0.56
SLC1A1 P43005 7/20 0.56
SLC1A3 P43003 6/20 0.56
GRIK1 P39086 9/20 0.47
GRIK2 Q13002 7/20 0.47
GRIA2 P42262 2/20 0.44
GRIA4 P48058 2/20 0.44
GRIK3 Q13003 2/20 0.44
GRIK5 Q16478 2/20 0.44
GRIA1 P42261 1/20 0.44
BHMT Q93088 1/20 0.42
BHMT2 Q9H2M3 1/20 0.42

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
SCHEMBL2422005 1.00 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL2422006 1.00 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL3514273 1.00 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Hydrochloric Acid SCHEMBL8663720 0.98 SLC7A5 (0.60) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Hydrochloric Acid SCHEMBL6954433 0.98 SLC7A5 (0.60) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL7460997 0.84 SLC7A5 (0.60) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL2420111 0.82 SLC7A5 (0.58) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL6138683 0.82 SLC7A5 (0.58) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL199134 0.82 SLC7A5 (0.58) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL8015716 0.82 SLC7A5 (0.58) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1

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-6127420-A SELECTIVE, IRREVERSIBLE INHIBITORS OF NEURONAL ISOFORM OF NITRIC OXIDE SYNTHASE PRODUCING NITRIC OXIDE; MIGRAINE HEADACHES, STROKE, PAIN INCLUDING CHRONIC VISCERAL PAIN, DRUG ADDICTION, PARKINSON'S DISEASE, SCHIZOPHRENIA, ANTIEPILEPTIC THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 2000-10-03 US disclosed