SCHEMBL9722760

SCHEMBL9722760

N[C@H](CCC(=O)O)C(=O)N(CC(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GSR P00390 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
GRIK3 Q13003 1/20 0.43
GRIN2B Q13224 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
Glutamic Acid SCHEMBL6158919 0.85 GRM8 (0.53) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL1562840 0.84 ACE (0.41) ACEMLYCD
SCHEMBL27459998 0.84 ACE (0.41) ACEMLYCD
SCHEMBL6303083 0.83 ALDH1A1 (0.47) MLYCD
Hydrochloric Acid SCHEMBL10509889 0.83 ACE (0.40) ACEMLYCD
SCHEMBL8698239 0.83
SCHEMBL5510497 0.83
SCHEMBL11331486 0.83
SCHEMBL10511658 0.81 ACE (0.40) ACEMLYCD
SCHEMBL8074243 0.80 GPR88 (0.44) MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128346-A Cholecystokinin antagonists ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-4971978-A CHOLECYSTOKININ ANTAGONIST, ANALGESICS, CNS, ANALGESICS, AMIDE DERIVATIVES OF QUINOLINE ABBOTT LABORATORIES 1990-11-20 US disclosed
EP-0308885-A1 Derivatives of d-glutamic acid and d-aspartic acid ABBOTT LABORATORIES (US) 1989-03-29 EP disclosed
WO-1989002431-A1 DERIVATIVES OF D-GLUTAMIC ACID AND D-ASPARTIC ACID ABBOTT LABORATORIES (US) 1989-03-23 WO disclosed