SCHEMBL22366367

SCHEMBL22366367

CC(C)(C)OC(=O)N1CCc2c(CCCO)cccc2C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
UCHL1 P09936 1/20 0.49
MAPK1 P28482 1/20 0.47
NR1H2 P55055 1/20 0.47
SCN9A Q15858 1/20 0.45
NAMPT P43490 4/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ABHD6 Q9BV23 5/20 0.43
P2RX3 P56373 2/20 0.43
LIPG Q9Y5X9 1/20 0.42

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
SCHEMBL30428708 1.00 ESR2 (0.51) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL29554603 0.88 UCHL1 (0.53) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL5774734 0.88 UCHL1 (0.53) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL10289745 0.87 ESR2 (0.53) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL16269608 0.86 UCHL1 (0.49) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL17687053 0.85 NR1H2 (0.53) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL22530017 0.85 ESR2 (0.51) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL5778372 0.85 ESR2 (0.51) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL29421814 0.85 ESR2 (0.51) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL30606082 0.85 NR1H2 (0.53) ESR2UCHL1MAPK1NR1H2SCN9A

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-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 EP disclosed