SCHEMBL2851534

SCHEMBL2851534

COC(=O)Oc1ccc(-c2cc(Cl)c(CN3CCC(C4CCCCC4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.37
SRC P12931 7/20 0.36
PER2 O15055 3/20 0.36
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
FAAH O00519 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
SCHEMBL2847036 0.89 PER2 (0.35) SRCPER2TNKSTNKS2
SCHEMBL2302485 0.87 CHKA (0.43) SRCALDH1A1PDE4APDE4BPDE4C
SCHEMBL2855217 0.85 TNKS (0.43) SRCTNKSTNKS2
SCHEMBL2301601 0.82 PDE4D (0.39) SRCPER2CNR2PDE4APDE4B
SCHEMBL2299396 0.79 TNKS (0.36) PER2TNKSTNKS2CNR1PDE4A
SCHEMBL12386309 0.79 PER2 (0.36) SRCPER2CNR2
SCHEMBL2301464 0.78 HRH3 (0.49) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2303903 0.77 PKM (0.45)
SCHEMBL13513407 0.76 HRH3 (0.41) CNR2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL2299174 0.76 PER2 (0.40) PER2

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-2021337-B1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2010-01-13 EP claimed