SCHEMBL22366348

SCHEMBL22366348

CC(C)(C)OC(=O)N1CCc2c(cccc2OCCCCl)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 3/20 0.58
ESR2 Q92731 1/20 0.47
SCN9A Q15858 1/20 0.47
MAPK1 P28482 1/20 0.46
NR1H2 P55055 1/20 0.46
UCHL1 P09936 1/20 0.46
ACACB O00763 2/20 0.45
BCHE P06276 2/20 0.44
HTR6 P50406 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MAPT P10636 1/20 0.42
S1PR5 Q9H228 1/20 0.42
P2RX3 P56373 2/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL30678849 1.00 ABHD6 (0.58) ABHD6ESR2SCN9AMAPK1NR1H2
SCHEMBL22366351 0.90 ABHD6 (0.57) ABHD6ESR2SCN9AMAPK1NR1H2
SCHEMBL30429034 0.90 ABHD6 (0.57) ABHD6ESR2SCN9AMAPK1NR1H2
SCHEMBL22366375 0.90 ABHD6 (0.57) ABHD6ESR2SCN9AMAPK1NR1H2
SCHEMBL30429074 0.90 ABHD6 (0.57) ABHD6ESR2SCN9AMAPK1NR1H2
SCHEMBL20983850 0.90 ABHD6 (0.71) ABHD6ESR2SCN9AMAPK1NR1H2
SCHEMBL5450422 0.90 ABHD6 (0.56) ABHD6ESR2SCN9AMAPK1NR1H2
SCHEMBL8184661 0.87 ABHD6 (0.53) ABHD6ESR2SCN9AMAPK1NR1H2
SCHEMBL5100971 0.86 HRH3 (0.62) ABHD6UCHL1HRH3MAPTS1PR5
SCHEMBL25386158 0.86 ABHD6 (0.52) ABHD6ESR2SCN9AMAPK1NR1H2

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