SCHEMBL13630935

SCHEMBL13630935

COCCCOc1cc(C(=O)N(C(C)C)C2CC(COc3ccccc3)CN(C(=O)OC(C)(C)C)C2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.50
▸ REN P00797 19/20 0.45
▸ HTR1A P08908 2/20 0.44
▸ ADRA1D P25100 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ ADRA1B P35368 2/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ CYP3A4 P08684 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
SCHEMBL13434352 1.00 PDE4B (0.50) PDE4BRENHTR1AADRA1DHTR2A
SCHEMBL13631035 0.94 PDE4B (0.45) PDE4BRENHTR1AADRA1DHTR2A
SCHEMBL13461244 0.94 REN (0.47) PDE4BRENHTR1AADRA1DHTR2A
SCHEMBL13434590 0.94 PDE4B (0.45) PDE4BRENHTR1AADRA1DHTR2A
SCHEMBL13434387 0.94 REN (0.47) PDE4BRENHTR1AADRA1DHTR2A
SCHEMBL13434386 0.94 PDE4B (0.45) PDE4BRENHTR1AADRA1DHTR2A
SCHEMBL13434593 0.94 REN (0.47) PDE4BRENHTR1AADRA1DHTR2A
SCHEMBL13434595 0.93 REN (0.45) PDE4BRENHTR1AADRA1DHTR2A
SCHEMBL13434388 0.93 REN (0.45) PDE4BRENHTR1AADRA1DHTR2A
SCHEMBL13434381 0.92 REN (0.43) PDE4BRENHTR1AADRA1DHTR2A

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
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 — — EP disclosed
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