SCHEMBL29589933

SCHEMBL29589933

C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CN(C(=O)Oc1ccc(N)cc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 18/20 0.54
▸ NR1H2 P55055 1/20 0.47
▸ ACHE P22303 1/20 0.45

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
SCHEMBL29589794 0.92 BCL2 (0.57) BCL2ACHE
SCHEMBL29589838 0.88 HPGD (0.56) BCL2ACHE
SCHEMBL29589716 0.87 BCL2 (0.56) BCL2
SCHEMBL29589723 0.86 BCL2 (0.52) BCL2
SCHEMBL29590813 0.85 BCL2 (0.55) BCL2
SCHEMBL29590139 0.84 NR1H2 (0.56) BCL2NR1H2
SCHEMBL29590775 0.84 HSP90AA1 (0.47) —
SCHEMBL29590466 0.82 HSP90AA1 (0.47) —
SCHEMBL16416972 0.82 HSP90AA1 (0.47) —
SCHEMBL28052547 0.81 LIPE (0.56) NR1H2ACHE

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-109456324-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-04-22 — — CN disclosed
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