SCHEMBL20838985

SCHEMBL20838985

N[C@@H]1CCN(CC(=O)OC(=O)C(F)(F)F)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
KIT P10721 1/20 0.33
SCN9A Q15858 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
SCHEMBL20838978 1.00 HRH2 (0.35) HRH2HRH1KITSCN9A
SCHEMBL21063430 0.87
SCHEMBL28506466 0.79 SMN1; SMN2 (0.47)
SCHEMBL14306821 0.76 SMN1; SMN2 (0.45) HRH2HRH1
SCHEMBL21063385 0.75 SMN1; SMN2 (0.33)
SCHEMBL28956751 0.74 PIK3CD (0.35)
SCHEMBL7344719 0.74 GAA (0.42)
SCHEMBL14660329 0.74 BIRC2 (0.51)
SCHEMBL28507614 0.74 ALDH1A1 (0.46)
SCHEMBL13110280 0.73 HSD11B1 (0.40) HRH2HRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684775-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2020-07-29 EP disclosed
WO-2019057806-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2019-03-28 WO disclosed