SCHEMBL19857045

SCHEMBL19857045

Cc1cc(-c2cc(OCc3ncccn3)ccc2C)ccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.46
FFAR1 O14842 6/20 0.43
FFAR4 Q5NUL3 2/20 0.43
PPARA Q07869 3/20 0.41
SYK P43405 1/20 0.39
SCN5A Q14524 1/20 0.38
S1PR1 P21453 1/20 0.37

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
SCHEMBL19857041 0.86 PPARD (0.45) PPARDPPARASYKSCN5AS1PR1
SCHEMBL16824807 0.80 FFAR4 (0.47) PPARDFFAR4SCN5A
SCHEMBL16821806 0.77 S1PR1 (0.39) PPARDFFAR1FFAR4SYKSCN5A
SCHEMBL19857042 0.75 PDE4A (0.45) PPARDFFAR4SYKSCN5A
SCHEMBL16821782 0.73 SYK (0.36) PPARDSYKSCN5AS1PR1
SCHEMBL16821772 0.73 FFAR1 (0.37) PPARDFFAR1FFAR4SCN5AS1PR1
SCHEMBL16821736 0.73 SCN5A (0.38) PPARDSYKSCN5AS1PR1
SCHEMBL5548424 0.72 S1PR1 (0.53) FFAR1FFAR4SCN5AS1PR1
SCHEMBL16821787 0.72 GRM2 (0.37) PPARDSCN5AS1PR1
SCHEMBL21508410 0.72 SCN5A (0.43) FFAR1FFAR4SCN5AS1PR1

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-3092234-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2018-02-14 EP disclosed