SCHEMBL31487455

SCHEMBL31487455

NC1CCN(CCC2CCN(c3ccc(NN4C(=O)CCCC4=O)c(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.37
CHRM1 P11229 4/20 0.36
CHRM4 P08173 3/20 0.36
PDE7A Q13946 1/20 0.35
CHRM5 P08912 3/20 0.35
CHRM3 P20309 2/20 0.35
DRD2 P14416 2/20 0.34
ACHE P22303 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD3 P35462 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL31487430 0.90 HTR1A (0.43) PDE7ADRD2HTR1AADRA1DADRA1A
SCHEMBL31487719 0.89 DRD2 (0.38) CHRM2CHRM1DRD2HTR1AADRA1D
SCHEMBL31487478 0.86 ADRA1B (0.37) CHRM1CHRM4CHRM5CHRM3DRD2
SCHEMBL31487444 0.83 ADRA1B (0.41) CHRM2CHRM1CHRM4CHRM3DRD2
SCHEMBL31487431 0.80 ACHE (0.36) CHRM4DRD2ACHEHTR1ADRD3
SCHEMBL31487477 0.80 THRB (0.35) CHRM2CHRM4PDE7ADRD2HTR1A
SCHEMBL30965585 0.78 DDB1 (0.45) DRD2
SCHEMBL31487440 0.76 ADRA1B (0.43) CHRM1DRD2HTR1AADRA1DADRA1A
SCHEMBL31487537 0.74 ADRA1B (0.41) CHRM4DRD2HTR1AADRA1DADRA1A
SCHEMBL31487439 0.73 HTR6 (0.39) DRD2HTR1AALDH1A1DRD3HTR7

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-119790057-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2025-04-08 CN disclosed