SCHEMBL29731972

SCHEMBL29731972

O=C1CCCC2(C=CCc3c(F)cccc32)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.35
HDAC4 P56524 1/20 0.31
SRD5A1 P18405 1/20 0.30
BACE1 P56817 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
SCHEMBL28795586 0.81 PDE7A (0.41) PDE7AHDAC4
SCHEMBL23668834 0.78 PDE7A (0.37) PDE7AHDAC4
SCHEMBL29731944 0.78 PDE7A (0.37) PDE7AHDAC4
SCHEMBL23645651 0.77 AKR1B1 (0.36) PDE7A
SCHEMBL29732212 0.72
SCHEMBL23645525 0.70
SCHEMBL23385698 0.68 OXTR (0.41)
SCHEMBL29656597 0.68 OXTR (0.41)
SCHEMBL23645062 0.67 PDE7A (0.37) PDE7AHDAC4
SCHEMBL29732118 0.67 PDE7A (0.37) PDE7AHDAC4

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
CN-114805311-B Spirocyclic indenes 苏州亚盛药业有限公司 2024-10-29 CN disclosed
CN-114805311-A Spirocyclic indenes 苏州亚盛药业有限公司 2022-07-29 CN disclosed
WO-2022156761-A1 SPIROCYCLIC INDENES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-07-28 WO disclosed