SCHEMBL30503581

SCHEMBL30503581

CCc1cc(F)cc([C@@H]2CCC3(C2)CN(C(=O)OC(C)(C)C)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.39
▸ RORC P51449 2/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ABHD6 Q9BV23 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ OXTR P30559 1/20 0.35
▸ AVPR1A P37288 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL29497472 1.00 DPP4 (0.39) DPP4RORCGPR119HDAC2HDAC1
SCHEMBL29427000 1.00 DPP4 (0.39) DPP4RORCGPR119HDAC2HDAC1
SCHEMBL29427006 0.85 DPP4 (0.38) DPP4RORCHDAC2HDAC1ABHD6
SCHEMBL29024670 0.85 DPP4 (0.38) DPP4RORCHDAC2HDAC1ABHD6
SCHEMBL29497473 0.85 DPP4 (0.38) DPP4RORCHDAC2HDAC1ABHD6
SCHEMBL30503521 0.85 DPP4 (0.38) DPP4RORCHDAC2HDAC1ABHD6
SCHEMBL25436059 0.85 FFAR4 (0.37) MGLL
SCHEMBL29497513 0.83 HDAC2 (0.37) DPP4HDAC2HDAC1ABHD6FAAH
SCHEMBL29024807 0.83 HDAC2 (0.37) DPP4HDAC2HDAC1ABHD6FAAH
SCHEMBL29427101 0.83 HDAC2 (0.37) DPP4HDAC2HDAC1ABHD6FAAH

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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