SCHEMBL23699327

SCHEMBL23699327

COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.69
RORC P51449 1/20 0.59
TACR1 P25103 3/20 0.59
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL13077992 1.00 PDE4B (0.69) PDE4BRORCTACR1SLC6A2SLC6A4
SCHEMBL21783709 1.00 PDE4B (0.69) PDE4BRORCTACR1SLC6A2SLC6A4
SCHEMBL21783705 1.00 PDE4B (0.69) PDE4BRORCTACR1SLC6A2SLC6A4
SCHEMBL14498493 1.00 PDE4B (0.69) PDE4BRORCTACR1SLC6A2SLC6A4
SCHEMBL7826036 0.89 SLC6A2 (0.64) PDE4BRORCTACR1SLC6A2SLC6A4
SCHEMBL17847243 0.89 PDE4B (0.56) PDE4BRORCTACR1SLC6A2SLC6A4
SCHEMBL3195681 0.89 PDE4B (0.56) PDE4BRORCTACR1SLC6A2SLC6A4
SCHEMBL3195687 0.89 PDE4B (0.56) PDE4BRORCTACR1SLC6A2SLC6A4
SCHEMBL22926179 0.89 PDE4B (0.71) PDE4BRORCTACR1SLC6A2SLC6A4
SCHEMBL20805969 0.89 PDE4B (0.71) PDE4BRORCTACR1SLC6A2SLC6A4

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
EP-3858439-A1 AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-08-04 EP disclosed