SCHEMBL4774185

SCHEMBL4774185

CCc1cc(OC(F)(F)F)cc2[nH]c(-c3ccc(N4SCCC4(O)O)cc3)c(C#N)c12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.32
PDE2A O00408 1/20 0.30
DHODH Q02127 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL4771892 0.80 TLR9 (0.31)
SCHEMBL4776654 0.78 PDE10A (0.36) PDE2ADHODHPDE4BPDE10A
SCHEMBL4773204 0.77 CHEK2 (0.38) PDE2ADHODHPDE4BPDE10A
SCHEMBL4779864 0.68 NOX1 (0.41) PDE10A
SCHEMBL4778982 0.63 PSEN1 (0.36)
SCHEMBL4879715 0.62 PIM1 (0.44)
SCHEMBL4776292 0.62 PDE10A (0.38) PDE10A
SCHEMBL10095976 0.60 TRPA1 (0.40) PDE2ADHODHPDE4BPDE10A
SCHEMBL10591159 0.58 ADORA1 (0.39) PDE2ADHODHPDE4BPDE10A
SCHEMBL10591906 0.56 DHODH (0.40) PDE2ADHODHPDE4BPDE10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed