SCHEMBL17595205

SCHEMBL17595205

CCc1cc(C(=O)OC(=O)C(F)(F)F)c(=O)[nH]c1-c1ccc(N2C[C@H]3CCC[C@@H](N(Cc4ccccc4)Cc4ccccc4)[C@H]3C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
CHRM4 P08173 1/20 0.30

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
SCHEMBL14745525 0.96 PDE3B (0.34) PDE3BPDE3ACHRM4
SCHEMBL16568463 0.94 PDE3B (0.34) PDE3BPDE3ACHRM4
Trifluoroacetic Acid SCHEMBL14741213 0.90 PDE3B (0.33) PDE3BPDE3A
SCHEMBL16568180 0.89 PDE3B (0.35) PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL14745524 0.85 PDE3B (0.33) PDE3BPDE3A
SCHEMBL17594910 0.84 CACNA1B (0.33) PDE3BPDE3A
SCHEMBL17595147 0.84 CACNA1B (0.33) PDE3BPDE3A
SCHEMBL16568064 0.84 PDE3B (0.35) PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL14741089 0.83 MCHR1 (0.34) PDE3BPDE3A
SCHEMBL17594875 0.83 CACNA1B (0.38) PDE3BPDE3A

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
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed