SCHEMBL29226337

SCHEMBL29226337

CN1CCN(c2ccc(OC(F)(F)F)c(N)c2)CC1CC#N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.39
CHRM2 P08172 9/20 0.35
CHRM1 P11229 6/20 0.35
CHRM3 P20309 3/20 0.35
CHRM5 P08912 2/20 0.33
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
DGKA P23743 1/20 0.30
DGKZ Q13574 1/20 0.30
NOTUM Q6P988 1/20 0.30
SOS1 Q07889 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
SCHEMBL30900343 1.00 CHRM4 (0.39) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL30900290 0.87 CHRM4 (0.39) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL29226246 0.87 CHRM4 (0.39) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL30900381 0.87 SOS1 (0.39) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL30900418 0.86 CHRM4 (0.37) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL29226658 0.86 CHRM4 (0.37) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL22471199 0.76 MAPT (0.46)
SCHEMBL22471200 0.76 MAPT (0.46)
SCHEMBL1527170 0.75 MAPT (0.53)
Hydrochloric Acid SCHEMBL1527169 0.74 MAPT (0.51)

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-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 CN disclosed