SCHEMBL30503535

SCHEMBL30503535

O=C(O)N1CC2(CCC(Oc3ccc(Br)c(C(F)F)n3)CC2)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.32
▸ ACACB O00763 3/20 0.32
▸ ABHD6 Q9BV23 2/20 0.32
▸ FAAH O00519 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ IKBKB O14920 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
SCHEMBL25411360 1.00 DGAT1 (0.32) DGAT1ACACBABHD6FAAHMGLL
SCHEMBL26631467 0.86 DGAT1 (0.43) DGAT1ACACBABHD6FAAHMGLL
SCHEMBL29427009 0.86 DGAT1 (0.43) DGAT1ACACBABHD6FAAHMGLL
SCHEMBL26631355 0.86 FFAR4 (0.32) DGAT1ACACBABHD6FAAHMGLL
SCHEMBL26631338 0.85 ACACB (0.34) DGAT1ACACBABHD6FAAHMGLL
SCHEMBL30503541 0.81 DGAT1 (0.37) DGAT1ACACBIKBKB
SCHEMBL26631319 0.81 DGAT1 (0.37) DGAT1ACACBIKBKB
SCHEMBL25410957 0.78 FFAR4 (0.31) ACACBABHD6FAAHMGLL
SCHEMBL25434328 0.78 ACACB (0.34) DGAT1ACACBABHD6FAAHMGLL
SCHEMBL25411789 0.75 GPR183 (0.37) DGAT1ABHD6FAAHMGLL

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
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 — — CN disclosed
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