SCHEMBL20103675

SCHEMBL20103675

COc1cc(C2CCCCC2)c(F)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.41
FEN1 P39748 10/20 0.41
FFAR1 O14842 3/20 0.40
HTR2A P28223 2/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNA2 Q15822 1/20 0.37
ACVR2A P27037 1/20 0.36
TGFBR2 P37173 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL21644913 0.81 FFAR1 (0.43) ALOX5APFEN1FFAR1CHRNB2CHRNB4
SCHEMBL20103176 0.81 FFAR1 (0.43) ALOX5APFEN1FFAR1CHRNB2CHRNB4
SCHEMBL20103177 0.81 FFAR1 (0.43) ALOX5APFEN1FFAR1CHRNB2CHRNB4
SCHEMBL28709002 0.76 FFAR1 (0.39) ALOX5APFEN1FFAR1FFAR4TLR9
SCHEMBL20103605 0.73 FFAR1 (0.40) FFAR1CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL20103281 0.70 PTGDR2 (0.52) FFAR1HTR2A
SCHEMBL20103378 0.70 CNR2 (0.34) FFAR1FFAR4
SCHEMBL20103485 0.70 FFAR1 (0.42) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL28115039 0.68 TLR9 (0.42) TLR9TLR8TLR7
SCHEMBL21644893 0.68 FFAR1 (0.35) FFAR1FFAR4

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-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed