SCHEMBL30503521

SCHEMBL30503521

CC(C)(C)OC(=O)N1CC2(CC[C@@H](c3cc(F)cc(Br)c3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.38
▸ RORC P51449 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ MGLL Q99685 4/20 0.37
▸ ABHD6 Q9BV23 3/20 0.37
▸ FAAH O00519 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ OXTR P30559 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL29024670 1.00 DPP4 (0.38) DPP4RORCHDAC2HDAC1MGLL
SCHEMBL29497473 1.00 DPP4 (0.38) DPP4RORCHDAC2HDAC1MGLL
SCHEMBL29427006 1.00 DPP4 (0.38) DPP4RORCHDAC2HDAC1MGLL
SCHEMBL29427000 0.85 DPP4 (0.39) DPP4RORCHDAC2HDAC1MGLL
SCHEMBL30503581 0.85 DPP4 (0.39) DPP4RORCHDAC2HDAC1MGLL
SCHEMBL29497472 0.85 DPP4 (0.39) DPP4RORCHDAC2HDAC1MGLL
SCHEMBL29427101 0.85 HDAC2 (0.37) DPP4HDAC2HDAC1MGLLABHD6
SCHEMBL29497513 0.85 HDAC2 (0.37) DPP4HDAC2HDAC1MGLLABHD6
SCHEMBL29024807 0.85 HDAC2 (0.37) DPP4HDAC2HDAC1MGLLABHD6
SCHEMBL25409300 0.83 MGLL (0.38) MGLLABHD6FAAH

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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