SCHEMBL31487740

SCHEMBL31487740

NC1CC2(CCN(CCC3CCN(c4ccc(NN5C(=O)CCCC5=O)cc4F)CC3)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 6/20 0.38
HTR1A P08908 6/20 0.37
ADRA1D P25100 4/20 0.37
ADRA1A P35348 4/20 0.37
DRD2 P14416 4/20 0.33
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
CHRM4 P08173 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL31487472 0.90 ADRA1B (0.37) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31487444 0.89 ADRA1B (0.41) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31487841 0.83 ADRA1B (0.45) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31487405 0.81 OPRL1 (0.36) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL30965751 0.80 DDB1 (0.42)
SCHEMBL31487478 0.79 ADRA1B (0.37) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31487477 0.76 THRB (0.35) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31334799 0.75 AXL (0.38) ADRA1BGAAOPRM1OPRK1OPRL1
SCHEMBL31487455 0.73 CHRM2 (0.37) ADRA1BHTR1AADRA1DADRA1ADRD2
SCHEMBL31334802 0.73 ADRA1B (0.41) ADRA1BHTR1AADRA1DADRA1AL3MBTL1

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