SCHEMBL20924167

SCHEMBL20924167

COC(=O)C1CCN[C@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL30334976 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17270204 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16681482 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15569455 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL28988786 0.98 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL17747401 0.98 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL29284552 0.98 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL17747393 0.98 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Acetic Acid SCHEMBL25290013 0.94 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Trifluoroacetic Acid SCHEMBL19876997 0.88 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240084-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-12-14 WO disclosed
EP-3473619-A1 AURORA A KINASE INHIBITOR ELI LILLY AND CO. (US) 2019-04-24 EP disclosed