SCHEMBL28630751

SCHEMBL28630751

COC(=O)c1ccc(Br)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GPR119 Q8TDV5 8/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
HDAC1 Q13547 1/20 0.46
SLC2A1 P11166 1/20 0.46
CHEK2 O96017 1/20 0.45
CSF1R P07333 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL21473562 0.89 PDE4B (0.56) PKMKDM4EGPR119PDE4APDE4B
SCHEMBL30015882 0.89 PDE4B (0.56) PKMKDM4EGPR119PDE4APDE4B
SCHEMBL1056543 0.89 PDE4B (0.54) PKMKDM4EGPR119PDE4APDE4B
SCHEMBL23825806 0.86 RBP4 (0.41) PKMKDM4EPDE4APDE4BPDE4C
SCHEMBL19834162 0.86 KDM4E (0.47) PKMKDM4EGPR119PDE4APDE4B
SCHEMBL29366131 0.85 HTR4 (0.40) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL27392260 0.85 HDAC1 (0.50) PKMKDM4EGPR119HDAC1SLC2A1
SCHEMBL31160608 0.84 GPR119 (0.49) PKMKDM4EGPR119PDE4APDE4B
SCHEMBL2802032 0.83 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL241130 0.83 GPR119 (0.59) PKMKDM4EGPR119HDAC1SLC2A1

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-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 CN disclosed