SCHEMBL31487478

SCHEMBL31487478

NC1CCN(CCC2CCN(c3cc(F)c(NN4C(=O)CCCC4=O)cc3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 3/20 0.37
DRD2 P14416 2/20 0.35
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
HTR1A P08908 1/20 0.34
CHRM4 P08173 7/20 0.34
ACHE P22303 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL31487431 0.91 ACHE (0.36) DRD2HTR1ACHRM4ACHE
SCHEMBL31487440 0.90 ADRA1B (0.43) ADRA1BDRD2ADRA1DADRA1AHTR1A
SCHEMBL31487444 0.89 ADRA1B (0.41) ADRA1BDRD2ADRA1DADRA1AHTR1A
SCHEMBL31487472 0.89 ADRA1B (0.37) ADRA1BDRD2ADRA1DADRA1AHTR1A
SCHEMBL31487537 0.88 ADRA1B (0.41) ADRA1BDRD2ADRA1DADRA1AHTR1A
SCHEMBL31487455 0.86 CHRM2 (0.37) ADRA1BDRD2ADRA1DADRA1AHTR1A
SCHEMBL31487438 0.82 ADRA1B (0.42) ADRA1BDRD2ADRA1DADRA1AHTR1A
SCHEMBL31487396 0.81 ADRA1B (0.37) ADRA1BDRD2ADRA1DADRA1AHTR1A
SCHEMBL31487531 0.80 ADRA1B (0.37) ADRA1BDRD2ADRA1DADRA1AHTR1A
SCHEMBL31487445 0.79 DRD2 (0.41) ADRA1BDRD2ADRA1DADRA1AHTR1A

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