SCHEMBL9635488

SCHEMBL9635488

C=C=CC(N)CCC(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.43
GRM8 O00222 2/20 0.43
GRM6 O15303 2/20 0.43
GRM7 Q14831 2/20 0.43
GRM4 Q14833 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CYP1A2 P05177 1/20 0.43
GRIK1 P39086 1/20 0.43
GRM5 P41594 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIK2 Q13002 1/20 0.43

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
SCHEMBL10915178 0.78 CYP2D6 (0.61) GSRGRM8GRM6GRM7GRM4
SCHEMBL8531395 0.78 CYP2D6 (0.61) GSRGRM8GRM6GRM7GRM4
SCHEMBL8531394 0.78 CYP2D6 (0.61) GSRGRM8GRM6GRM7GRM4
SCHEMBL9635451 0.77 BLM (0.59) GSRGRM8GRM6GRM7GRM4
SCHEMBL9635455 0.77 BLM (0.59) GSRGRM8GRM6GRM7GRM4
Hydrochloric Acid SCHEMBL10963186 0.76 CYP2D6 (0.59) GSRGRM8GRM6GRM7GRM4
Hydrochloric Acid SCHEMBL10963195 0.76 CYP2D6 (0.59) GSRGRM8GRM6GRM7GRM4
Hydrochloric Acid SCHEMBL10963203 0.76 CYP2D6 (0.59) GSRGRM8GRM6GRM7GRM4
Bicarbonate SCHEMBL8532146 0.76 GRIK1 (0.37) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
SCHEMBL602426 0.75 GSR (0.68) GSRGRM8GRM6GRM7GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1027891-C Process for the preparation of 5-substituted ornithine derivatives MERRELL DOW PHARMA (US) 1995-03-15 CN disclosed
EP-0326766-B1 5-SUBSTITUTED ORNITHINE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-17 EP disclosed
US-4902719-A ORNITHINE DEFICIENCY TREATMENT MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-20 US disclosed
CN-1037142-A The 5-substituted ornithine derivatives MERRELL DOW PHARMA (US) 1989-11-15 CN disclosed
EP-0326766-A1 5-Substituted ornithine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-09 EP disclosed