SCHEMBL29427092

SCHEMBL29427092

COc1nc(OC2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)ccc1Br.COc1nc(OC2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)ccc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.42
▸ GPR119 Q8TDV5 7/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ PDE4B Q07343 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CYP11B2 P19099 1/20 0.33
▸ CACNB4 O00305 1/20 0.33
▸ CACNA1A O00555 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNG3 O60359 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNB3 P54284 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33

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
SCHEMBL29427128 0.95 GPR119 (0.42) DGAT1GPR119CNR2PDE4BPDE4A
SCHEMBL26631490 0.95 GPR119 (0.42) DGAT1GPR119CNR2PDE4BPDE4A
SCHEMBL29024808 0.94 DGAT1 (0.46) DGAT1GPR119ROCK2PDE4BPDE4A
SCHEMBL29497388 0.94 DGAT1 (0.46) DGAT1GPR119ROCK2PDE4BPDE4A
SCHEMBL25411527 0.82 CD274 (0.34) CNR2
SCHEMBL30503611 0.82 CD274 (0.34) CNR2
SCHEMBL26631319 0.81 DGAT1 (0.37) DGAT1GPR119ACACB
SCHEMBL30503541 0.81 DGAT1 (0.37) DGAT1GPR119ACACB
SCHEMBL26631417 0.81 GPR119 (0.41) DGAT1GPR119PDE4BPDE4APDE4C
SCHEMBL29427009 0.79 DGAT1 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP disclosed
WO-2022063784-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 — — WO disclosed
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