SCHEMBL5062987

SCHEMBL5062987

Cc1onc(O)c1[C@@H](N)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
GAA P10253 3/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22407293 1.00 GRIA1 (0.39) GRIA1GRIA3GRIA2GRIA4CACNA1F
SCHEMBL84168 1.00 GRIA1 (0.39) GRIA1GRIA3GRIA2GRIA4CACNA1F
Aspartic Acid SCHEMBL5964784 0.79 GRIA1 (0.43) GRIA1GRIA3GRIA2GRIA4MEN1
SCHEMBL13319909 0.77 GRIA1 (0.41) GRIA1GRIA3GRIA2GRIA4GAA
SCHEMBL5290687 0.77 GRIA1 (0.41) GRIA1GRIA3GRIA2GRIA4GAA
SCHEMBL28471680 0.74 GRIA1 (0.47) GRIA1GRIA3GRIA2GRIA4GAA
SCHEMBL4437211 0.72 GRIA1 (0.36) GRIA1GRIA3GRIA2GRIA4GAA
Propionic Acid SCHEMBL4774389 0.67 FFAR3 (0.37) GRIA1GRIA3GRIA2GRIA4CACNA1F
(S)-Ampa SCHEMBL667915 0.67 GRIA1 (0.69) GRIA1GRIA3GRIA2GRIA4MEN1
SCHEMBL6809086 0.67 CACNA1F (0.33) CACNA1FCACNA1DCACNA1SCACNA1C

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
WO-2005007106-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A NON-NMDA GLUTAMATE MODULATOR FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-01-27 WO claimed
EP-1446501-A2 METHODS FOR IDENTIFICATION OF CANCER CELL SURFACE MOLECULES AND CANCER SPECIFIC PROMOTERS, AND THERAPEUTIC USES THEREOF Buadbo APS (DK) 2004-08-18 EP claimed
WO-2003000928-A2 METHODS FOR IDENTIFICATION OF CANCER CELL SURFACE MOLECULES AND CANCER SPECIFIC PROMOTERS, AND THERAPEUTIC USES THEREOF BUADBO APS (DK) 2003-01-03 WO claimed
US-20080286765-A1 Human Obesity Susceptibility Gene Encoding a Taste Receptor and Uses Thereof PHILIPPI ANNE 2008-11-20 US disclosed
EP-1756315-A1 HUMAN OBESITY SUSCEPTIBILITY GENE ENCODING A TASTE RECEPTOR AND USES THEREOF Integragen (FR) 2007-02-28 EP disclosed
WO-2005123948-A1 HUMAN OBESITY SUSCEPTIBILITY GENE ENCODING A TASTE RECEPTOR AND USES THEREOF INTEGRAGEN (FR) 2005-12-29 WO disclosed
US-6197771-B1 NERVOUS SYSTEM DISORDERS; ANTIISCHEMIC AGENTS; ALZHEIMER'SDISEASE; PARKINSON'S DISEASE; HUNTINGTON'S DISEASE WARNER-LAMBERT COMPANY 2001-03-06 US disclosed
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US disclosed
US-6110911-A ADMINISTERING NEUROPROTECTANT/ANTICONVULSANT TO PATIENT WARNER-LAMBERT COMPANY (US) 2000-08-29 US disclosed
US-6096744-A ANTICONVULSANTS WARNER-LAMBERT COMPANY (US) 2000-08-01 US disclosed
US-6057313-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-05-02 US disclosed
US-6015800-A Substituted quinoxaline-2-ones as glutamate receptor antagonists WARNER-LAMBERT COMPANY (US) 2000-01-18 US disclosed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO disclosed
US-5721234-A TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE WARNER-LAMBERT COMPANY (US) 1998-02-24 US disclosed