SCHEMBL9467971

SCHEMBL9467971

CCC/C=C/C(N)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 1/20 0.43
CTH P32929 1/20 0.41
LMNA P02545 1/20 0.40
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37

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
SCHEMBL9468017 1.00 GRIK1 (0.43) GRIK1GRIK2CTHLMNAGABRP
SCHEMBL17142334 1.00 GRIK1 (0.43) GRIK1GRIK2CTHLMNAGABRP
SCHEMBL27081770 1.00 GRIK1 (0.43) GRIK1GRIK2CTHLMNAGABRP
SCHEMBL29690336 1.00 GRIK1 (0.43) GRIK1GRIK2CTHLMNAGABRP
SCHEMBL27081837 0.88 GRIK1 (0.46) GRIK1LMNA
SCHEMBL17142338 0.88 GRIK1 (0.46) GRIK1LMNA
SCHEMBL19818183 0.88 GRIK1 (0.46) GRIK1LMNA
SCHEMBL17142346 0.86 MAPT (0.50) LMNA
SCHEMBL9468647 0.84 MAPT (0.53) LMNA
SCHEMBL9467958 0.84 MAPT (0.53) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778622-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2021-02-17 EP disclosed
EP-3218392-B1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-07-29 EP disclosed
US-5208260-A Vinyl Glycine derivatives for memory and learning enhancement or treatment of a cognitive disorder G. D. SEARLE & CO. (US) 1993-05-04 US disclosed