SCHEMBL25798403

SCHEMBL25798403

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.52
GRIK2 Q13002 2/20 0.52
SLC1A2 P43004 2/20 0.52
SLC1A1 P43005 2/20 0.52
GPR84 Q9NQS5 4/20 0.50
ACE2 Q9BYF1 1/20 0.50
FFAR1 O14842 1/20 0.50
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
OPRM1 P35372 1/20 0.48
CA1 P00915 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
SLC1A3 P43003 1/20 0.44
LAP3 P28838 1/20 0.44
GMNN O75496 1/20 0.42
LMNA P02545 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
SCHEMBL4936250 1.00 GRIK1 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL3219925 1.00 GRIK1 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL3216658 1.00 GRIK1 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL27308264 0.94 SLC1A2 (0.50) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL19198251 0.94 SLC1A2 (0.50) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL27486933 0.85 ACE2 (0.53) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL1162596 0.85 CHRM1 (0.48) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL804557 0.85 CHRM1 (0.48) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL27487309 0.83 ACE2 (0.56) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL27489386 0.83 ACE2 (0.56) GRIK1GRIK2SLC1A2SLC1A1GPR84

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
WO-2023122945-A1 CYCLIC POLYPEPTIDE COMPOUNDS AND USES THEREOF 知和(山东)大药厂有限公司 2023-07-06 WO disclosed