SCHEMBL27367158

SCHEMBL27367158

CC(C)CCC1COC(=O)N1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.32
HTR1D P28221 5/20 0.32
HTR1B P28222 5/20 0.32
HTR1A P08908 2/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA1A P35348 1/20 0.32
PIK3CD O00329 1/20 0.32
S1PR1 P21453 5/20 0.31
HTR1F P30939 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL12161361 0.81 KMT2A (0.35) IRAK4HTR1DHTR1BHTR1AKMT2A
SCHEMBL14553365 0.81 KMT2A (0.35) IRAK4HTR1DHTR1BHTR1AKMT2A
SCHEMBL14832425 0.81 KMT2A (0.35) IRAK4HTR1DHTR1BHTR1AKMT2A
SCHEMBL2365737 0.79
SCHEMBL1439579 0.79
SCHEMBL1439581 0.79
SCHEMBL6962555 0.78 CD274 (0.37) HTR1DHTR1BS1PR1
SCHEMBL19692710 0.76
SCHEMBL2035483 0.76
SCHEMBL19128284 0.75

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
WO-2024061853-A1 FLUORESCENT PROBES FOR MAGL F. HOFFMANN-LA ROCHE AG (CH) 2024-03-28 WO disclosed