SCHEMBL30219085

SCHEMBL30219085

COc1cncc(CN[C@@H](CCC(C)(C)C)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 3/20 0.40
▸ SORT1 Q99523 3/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ ADORA2B P29275 4/20 0.36
▸ DDR1 Q08345 1/20 0.36
▸ DDR2 Q16832 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL29213370 1.00 GRN (0.40) GRNSORT1KDM1AMAOAMAOB
SCHEMBL29213373 1.00 GRN (0.40) GRNSORT1KDM1AMAOAMAOB
SCHEMBL29213268 0.86 GRN (0.44) GRNSORT1PDCD1CD274
SCHEMBL29213264 0.86 GRN (0.44) GRNSORT1PDCD1CD274
SCHEMBL30903312 0.84 GRN (0.42) GRNSORT1CYP11B1CYP11B2PDCD1
SCHEMBL29213469 0.84 GRN (0.42) GRNSORT1CYP11B1CYP11B2PDCD1
SCHEMBL29213472 0.84 GRN (0.42) GRNSORT1CYP11B1CYP11B2PDCD1
SCHEMBL30903307 0.83 GRN (0.44) GRNSORT1
SCHEMBL29213362 0.83 GRN (0.44) GRNSORT1
SCHEMBL29213359 0.83 GRN (0.44) GRNSORT1

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
CN-118019533-A 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases 因苏森斯有限公司 2024-05-10 — — CN claimed
EP-4395776-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM Insusense ApS (DK) 2024-07-10 — — EP disclosed
CN-118019533-A 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases 因苏森斯有限公司 2024-05-10 — — CN disclosed
WO-2023031440-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM INSUSENSE ApS (DK) 2023-03-09 — — WO disclosed
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