SCHEMBL29213400

SCHEMBL29213400

CC(C)(C)CCC(NCc1ccncn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 4/20 0.40
▸ SORT1 Q99523 4/20 0.40
▸ NAMPT P43490 2/20 0.37
▸ HPGDS O60760 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ GGT1 P19440 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ KCNH3 Q9ULD8 1/20 0.32
▸ ITGAV P06756 1/20 0.32
▸ ITGA5 P08648 1/20 0.32
▸ ITGB6 P18564 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ PYGL P06737 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL29213395 1.00 GRN (0.40) GRNSORT1NAMPTHPGDSP2RX7
SCHEMBL30903304 1.00 GRN (0.40) GRNSORT1NAMPTHPGDSP2RX7
Hydrochloric Acid SCHEMBL29213409 0.99 GRN (0.39) GRNSORT1NAMPTHPGDSP2RX7
Hydrochloric Acid SCHEMBL29213413 0.99 GRN (0.39) GRNSORT1NAMPTHPGDSP2RX7
Hydrochloric Acid SCHEMBL30903354 0.99 GRN (0.39) GRNSORT1NAMPTHPGDSP2RX7
SCHEMBL29213283 0.81 RAB9A (0.44) GRNSORT1KDM4E
SCHEMBL29213280 0.81 RAB9A (0.44) GRNSORT1KDM4E
SCHEMBL31052893 0.79 ITGAV (0.44) GRNSORT1P2RX7KDM4EITGAV
SCHEMBL29213372 0.76 KDM4E (0.39) GRNSORT1GGT1KDM4EPYGL
SCHEMBL29213369 0.76 KDM4E (0.39) GRNSORT1GGT1KDM4EPYGL

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 2 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
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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