SCHEMBL7745154

SCHEMBL7745154

O=C(O)C1CC(CP(=O)(O)Cc2ccccc2)CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL19292680 0.78 HRH3 (0.54) ARG1CYP1A2ALOX15CYP2C19GRIK1
SCHEMBL22536533 0.78 HRH3 (0.54) ARG1CYP1A2ALOX15CYP2C19GRIK1
SCHEMBL1706921 0.78 HRH3 (0.54) ARG1CYP1A2ALOX15CYP2C19GRIK1
SCHEMBL199035 0.78 HRH3 (0.54) ARG1CYP1A2ALOX15CYP2C19GRIK1
SCHEMBL931868 0.78 HRH3 (0.54) ARG1CYP1A2ALOX15CYP2C19GRIK1
SCHEMBL199034 0.78 HRH3 (0.54) ARG1CYP1A2ALOX15CYP2C19GRIK1
SCHEMBL3190846 0.78 HRH3 (0.54) ARG1CYP1A2ALOX15CYP2C19GRIK1
Hydrochloric Acid SCHEMBL7375375 0.77 GRIK1 (0.53) ARG1CYP1A2ALOX15CYP2C19GRIK1
Hydrochloric Acid SCHEMBL15718411 0.77 GRIK1 (0.53) ARG1CYP1A2ALOX15CYP2C19GRIK1
Hydrochloric Acid SCHEMBL7375374 0.77 GRIK1 (0.53) ARG1CYP1A2ALOX15CYP2C19GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313159-B1 FOR THERAPY OF GLUTAMATE MEDIATED DISEASE, DISORDER SUCH AS: STROKE, ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE, SCHIZOPHRENIA, ISCHEMIA, PAIN, DIABETIC NEUROPATHY, TRAUMA, NERVOUS INSULT GUILFORD PHARMACEUTICALS INC. 2001-11-06 US claimed
WO-2001014390-A2 METABOTROPIC GLUTAMATE RECEPTOR LIGAND DERIVATIVES AS NAALADase INHIBITORS GUILFORD PHARMACEUTICALS (US) 2001-03-01 WO claimed