SCHEMBL31487477

SCHEMBL31487477

NC1CC2(CCN(CC3CCN(c4ccc(NN5C(=O)CCCC5=O)c(F)c4)CC3)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
OPRM1 P35372 5/20 0.35
OPRL1 P41146 5/20 0.35
OPRK1 P41145 4/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CHRM4 P08173 1/20 0.32
PDE7A Q13946 1/20 0.32
OPRD1 P41143 1/20 0.32
CHRM2 P08172 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 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
SCHEMBL31487405 0.87 OPRL1 (0.36) THRBOPRM1OPRL1OPRK1HTR1A
SCHEMBL30965709 0.80 CRBN (0.41) DRD2
SCHEMBL31487455 0.80 CHRM2 (0.37) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL31487472 0.79 ADRA1B (0.37) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL31487430 0.77 HTR1A (0.43) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL31487740 0.76 ADRA1B (0.38) OPRM1OPRL1OPRK1HTR1ADRD2
SCHEMBL31487719 0.74 DRD2 (0.38) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL31487439 0.71 HTR6 (0.39) THRBHTR1ADRD2CDK4CCND1
SCHEMBL25034798 0.70 DDB1 (0.46) OPRM1OPRL1OPRK1DRD2OPRD1
SCHEMBL30965761 0.69 CRBN (0.40) OPRM1OPRL1OPRK1

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