SCHEMBL25889592

SCHEMBL25889592

CCC1CC(CC)N1C1CCC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL25900225 0.73
SCHEMBL21207059 0.73 OPRM1 (0.31) ALDH1A1
SCHEMBL25825146 0.70 CHRM2 (0.31) CHRM2CHRM4CHRM1CHRM3
SCHEMBL19480451 0.69 CHRNB2 (0.40) ALDH1A1
SCHEMBL12931748 0.69 KMT2A (0.31) ALDH1A1KMT2A
SCHEMBL27331241 0.68 LMNA (0.31) ALDH1A1KMT2A
SCHEMBL21872535 0.68
SCHEMBL26557409 0.67 MEN1 (0.39) MEN1KMT2A
SCHEMBL10861805 0.67 KMT2A (0.33) KMT2A
SCHEMBL16480462 0.67 KMT2A (0.33) KMT2A

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-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed