SCHEMBL29024808

SCHEMBL29024808

COc1nc(OC2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.46
▸ GPR119 Q8TDV5 6/20 0.42
▸ PDE4B Q07343 3/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ CACNB4 O00305 1/20 0.36
▸ CACNA1A O00555 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNG3 O60359 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNB3 P54284 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNG7 P62955 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36

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
SCHEMBL29497388 1.00 DGAT1 (0.46) DGAT1GPR119PDE4BPDE4APDE4C
SCHEMBL29427092 0.94 DGAT1 (0.42) DGAT1GPR119PDE4BPDE4APDE4C
SCHEMBL29427128 0.87 GPR119 (0.42) DGAT1GPR119PDE4BPDE4APDE4C
SCHEMBL26631490 0.87 GPR119 (0.42) DGAT1GPR119PDE4BPDE4APDE4C
SCHEMBL26631319 0.86 DGAT1 (0.37) DGAT1GPR119ACACBGPR183
SCHEMBL30503541 0.86 DGAT1 (0.37) DGAT1GPR119ACACBGPR183
SCHEMBL26631417 0.86 GPR119 (0.41) DGAT1GPR119PDE4BPDE4APDE4C
SCHEMBL26631467 0.84 DGAT1 (0.43) DGAT1GPR119PDE4BPDE4APDE4C
SCHEMBL29427009 0.84 DGAT1 (0.43) DGAT1GPR119PDE4BPDE4APDE4C
SCHEMBL25411482 0.81 GPR119 (0.42) DGAT1GPR119PDE4BPDE4APDE4C

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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