SCHEMBL20064064

SCHEMBL20064064

Fc1ccc(F)c(OC2CCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.45
HTR1A P08908 5/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 3/20 0.42
EIF4E P06730 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SCD O00767 3/20 0.39
GPR6 P46095 1/20 0.37
TYRO3 Q06418 1/20 0.36
EPHX2 P34913 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL83203 0.84 SLC6A2 (0.62) HTR1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL69817 0.82 HTR1A (0.60) HTR1ASLC6A2SLC6A3
SCHEMBL20204758 0.81 SYK (0.48) FFAR4HTR1ASLC6A2SLC6A3EPHX2
SCHEMBL19641654 0.80 PDE4A (0.48)
SCHEMBL17123797 0.80 SLC6A2 (0.57) HTR1ASLC6A2SLC6A3
SCHEMBL2299164 0.79 SLC6A2 (0.37) HTR1ASLC6A2SLC6A3SCDGPR6
SCHEMBL26144164 0.79 CSNK2A1 (0.41) GPR6
SCHEMBL14957010 0.79 SLC6A2 (0.60) HTR1ASLC6A2SLC6A3
SCHEMBL20063995 0.79 PDE4D (0.51)
SCHEMBL7366297 0.78 SYK (0.48) FFAR4HTR1ASLC6A2SLC6A3EPHX2

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-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed