SCHEMBL29656597

SCHEMBL29656597

O=C1CCCC2(C=Cc3ccccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.41
HSD11B1 P28845 1/20 0.39

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
SCHEMBL23385698 1.00 OXTR (0.41) OXTRHSD11B1
SCHEMBL746185 0.80 OXTR (0.48) OXTRHSD11B1
SCHEMBL23645444 0.79 OXTR (0.35) OXTR
SCHEMBL23668806 0.79 OXTR (0.35) OXTR
SCHEMBL3923960 0.79 OXTR (0.49) OXTRHSD11B1
SCHEMBL11122795 0.79 OXTR (0.49) OXTRHSD11B1
SCHEMBL24505981 0.77 OXTR (0.48) OXTRHSD11B1
SCHEMBL23686169 0.76 NR1H2 (0.35) HSD11B1
SCHEMBL23668834 0.76 PDE7A (0.37)
SCHEMBL23645062 0.76 PDE7A (0.37)

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 5 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-113087700-B Spirocyclic tetrahydroquinazolines 苏州亚盛药业有限公司 2023-03-14 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
CN-114630832-A Pyrimido-cyclic derivative and application thereof in medicine 四川海思科制药有限公司 2022-06-14 CN disclosed