SCHEMBL24967965

SCHEMBL24967965

CC(=O)COCC1CCCN1C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 6/20 0.49
▸ CHRNA4 P43681 6/20 0.49
▸ CHRNA7 P36544 4/20 0.49
▸ CHRNA5 P30532 2/20 0.49
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42

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
SCHEMBL16151569 1.00 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL24967966 0.95 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL13929717 0.86 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL24967967 0.83 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL13695531 0.81 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL2459458 0.81 CHRNB4 (0.50) CHRNB4CHRNA3
SCHEMBL13929716 0.81 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL26724258 0.79 CHRM3 (0.44) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL24578244 0.79 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL20869642 0.79 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7CHRNA5

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
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 — — WO disclosed
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