SCHEMBL7215575

SCHEMBL7215575

COc1ccc(C2(C#N)CCN(C3(C(=O)O)CC3)CC2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.56
PDE4A P27815 17/20 0.56
PDE4C Q08493 17/20 0.56
PDE4D Q08499 17/20 0.56
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL13843756 0.89 PDE4A (0.71) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL3167217 0.86 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL3169763 0.85 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL13526155 0.84 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL7215491 0.84 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL16730939 0.82 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL3166256 0.82 PDE4A (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL3181091 0.82 PDE4A (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL3160359 0.81 PDE4B (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL5525606 0.79 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DKMT2A

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-1308440-A1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-07 EP claimed