SCHEMBL28665607

SCHEMBL28665607

[CH2]COCCN1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.55
CTSK P43235 2/20 0.50
DRD2 P14416 6/20 0.44
CCR5 P51681 1/20 0.44
DRD3 P35462 2/20 0.43
HRH2 P25021 4/20 0.42
HRH1 P35367 4/20 0.42
BTK Q06187 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP2C9 P11712 1/20 0.40
HSD11B1 P28845 1/20 0.40
EPHX1 P07099 1/20 0.39

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
SCHEMBL13612905 0.88 KCNA3 (0.53) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL26813364 0.87 KCNA3 (0.52) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL26813360 0.87 KCNA3 (0.52) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL26814470 0.86 KCNA3 (0.51) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL26814252 0.86 KCNA3 (0.51) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL26814249 0.86 KCNA3 (0.51) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL18609563 0.86 KCNA3 (0.51) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL26814453 0.86 KCNA3 (0.51) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL26814454 0.86 KCNA3 (0.51) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL3115202 0.85 KCNA3 (0.55) KCNA3CTSKDRD2CCR5DRD3

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-113784969-A PLK1 Selective degradation inducing Compounds 厄普特拉公司 2021-12-10 CN disclosed