SCHEMBL31487472

SCHEMBL31487472

NC1CC2(CCN(CCC3CCN(c4cc(F)c(NN5C(=O)CCCC5=O)cc4F)CC3)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 6/20 0.37
HTR1A P08908 6/20 0.37
ADRA1D P25100 4/20 0.37
ADRA1A P35348 4/20 0.37
DRD2 P14416 4/20 0.37
DRD4 P21917 1/20 0.33
HTR1B P28222 1/20 0.33
DRD3 P35462 1/20 0.33
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL31487405 0.91 OPRL1 (0.36) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31487740 0.90 ADRA1B (0.38) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31487478 0.89 ADRA1B (0.37) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31487537 0.83 ADRA1B (0.41) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL30965688 0.82 CRBN (0.39) DRD2
SCHEMBL31487431 0.80 ACHE (0.36) HTR1ADRD2DRD4DRD3FFAR4
SCHEMBL31487440 0.79 ADRA1B (0.43) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31487444 0.79 ADRA1B (0.41) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31487477 0.79 THRB (0.35) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31487396 0.76 ADRA1B (0.37) ADRA1BHTR1AADRA1DADRA1ADRD2

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