SCHEMBL29213463

SCHEMBL29213463

CC(N[C@@H](CCC(C)(C)C)C(=O)O)c1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 4/20 0.42
▸ SORT1 Q99523 4/20 0.42
▸ RIPK1 Q13546 2/20 0.34
▸ VNN1 O95497 2/20 0.33
▸ PYGL P06737 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ CPB1 P15086 1/20 0.30
▸ CPB2 Q96IY4 1/20 0.30

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
SCHEMBL29213382 1.00 GRN (0.42) GRNSORT1RIPK1VNN1PYGL
SCHEMBL29213385 1.00 GRN (0.42) GRNSORT1RIPK1VNN1PYGL
SCHEMBL29213384 1.00 GRN (0.42) GRNSORT1RIPK1VNN1PYGL
SCHEMBL30219083 0.85 NPSR1 (0.37) GRNSORT1VNN1CYP2C9
SCHEMBL30219105 0.81 RIPK1 (0.51) GRNSORT1RIPK1CTSK
SCHEMBL31052820 0.81 GRN (0.45) GRNSORT1RIPK1PYGLCYP2C9
SCHEMBL30219049 0.81 RIPK1 (0.51) GRNSORT1RIPK1CTSK
Hydrochloric Acid SCHEMBL30219092 0.80 RIPK1 (0.50) GRNSORT1RIPK1CTSK
SCHEMBL31052905 0.77 GRN (0.41) GRNSORT1PYGLCYP2C9ITGAV
SCHEMBL29213329 0.76 GRN (0.43) GRNSORT1RIPK1VNN1PYGL

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
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
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