SCHEMBL29005447

SCHEMBL29005447

CCCC[Sn](CCCC)(CCCC)c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.49
▸ PDE4B Q07343 3/20 0.49
▸ PDE4A P27815 2/20 0.49
▸ PDE4C Q08493 2/20 0.49
▸ PIK3CD O00329 15/20 0.44
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL26180100 0.80 PIK3CD (0.48) PDE4DPDE4BPDE4APDE4CPIK3CD
SCHEMBL26180110 0.80 PIK3CD (0.48) PDE4DPDE4BPDE4APDE4CPIK3CD
SCHEMBL31383622 0.76 TRPV3 (0.49) PDE4DPDE4BPDE4APDE4CPIK3CD
SCHEMBL30308926 0.73 TRPV3 (0.47) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL2115970 0.73 GPR119 (0.61) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL28755951 0.73 SLCO1B1 (0.47) PDE4DPDE4BPDE4APDE4C
SCHEMBL30912511 0.72 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CPIK3CD
SCHEMBL22953433 0.72 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CPIK3CD
SCHEMBL30912524 0.72 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CPIK3CD
SCHEMBL25029079 0.72 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CPIK3CD

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-115996926-A Indole compounds as androgen receptor modulators 尼多生物科学有限公司 2023-04-21 — — CN disclosed
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