SCHEMBL29030071

SCHEMBL29030071

C[C@@H]1COCCN1c1c[c]c2[nH]nc(-c3ccnn3C3CCCCO3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.60

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
SCHEMBL17501251 0.84 ATR (0.70) ATR
SCHEMBL28588065 0.82 ATR (0.63) ATR
SCHEMBL23408465 0.79 ATR (0.62) ATR
SCHEMBL29738260 0.79 ATR (0.62) ATR
SCHEMBL29397604 0.78 ATR (0.74) ATR
SCHEMBL22766653 0.76 ATR (0.91) ATR
SCHEMBL20082038 0.76 ATR (0.78) ATR
SCHEMBL17501127 0.76 ATR (0.78) ATR
SCHEMBL17501598 0.76 ATR (0.80) ATR
SCHEMBL20081835 0.76 ATR (0.80) ATR

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-116375701-A Bicyclic heterocyclic compounds, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-07-04 — — CN disclosed
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