SCHEMBL7380213

SCHEMBL7380213

O=C1CCC(=O)N1OC(=O)C1(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
MGLL Q99685 1/20 0.45
OPRM1 P35372 5/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
SLC22A1 O15245 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
AKR1C1 Q04828 1/20 0.43
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PARL Q9H300 1/20 0.40

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
SCHEMBL7387576 0.94 AKR1C1 (0.49) HSD11B1MGLLOPRM1OPRD1OPRK1
SCHEMBL7385618 0.94 AKR1C1 (0.53) AKR1C1CHRM3MEN1KMT2AMAPK1
SCHEMBL20591531 0.83 MEN1 (0.38) HSD11B1MGLLSLC6A4MEN1KMT2A
SCHEMBL21848402 0.83 HSD11B1 (0.44) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL24097137 0.77 AKR1C1 (0.47) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL28653670 0.77 AKR1C1 (0.51) AKR1C1CHRM3MEN1KMT2AMAPK1
SCHEMBL23969611 0.76 AKR1C1 (0.50) HSD11B1AKR1C1CHRM3MEN1KMT2A
SCHEMBL30731583 0.76 AKR1C1 (0.50) HSD11B1AKR1C1CHRM3MEN1KMT2A
SCHEMBL382726 0.73 AKR1C1 (0.53) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL23969626 0.72 HSD11B1 (0.45) HSD11B1OPRM1MEN1KMT2A

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
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US claimed
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US disclosed