SCHEMBL456755

SCHEMBL456755

O=C(O)c1cncc(-c2ccc(F)c(F)c2)c1OCC1CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.45
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GRIN2B Q13224 1/20 0.39
KDM1A O60341 1/20 0.39
PDE4D Q08499 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
BRS3 P32247 1/20 0.37
XDH P47989 1/20 0.37
MAP4K4 O95819 1/20 0.36
KMO O15229 1/20 0.36
CHRM3 P20309 1/20 0.36
POLQ O75417 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
SCHEMBL456754 0.77 GRIN2B (0.47) FFAR4GRIN2BKDM5AKDM4CMAP4K4
SCHEMBL411079 0.76 CNR1 (0.53) FFAR4ALOX5APFEN1
SCHEMBL15968953 0.66 FFAR4 (0.48) FFAR4KDM4C
SCHEMBL927683 0.66 PARP10 (0.68) FFAR4KDM5AKDM4C
SCHEMBL7900565 0.65 RARB (0.46) FFAR4SLC22A12BRS3
SCHEMBL9060365 0.65 SYK (0.41) BRS3CHRM3
SCHEMBL16982906 0.64 FEN1 (0.38) FFAR4KDM1AALOX5APFEN1
SCHEMBL15968525 0.64 SCN9A (0.48)
SCHEMBL31149603 0.64 BRS3 (0.41) FFAR4GRIN2BKDM5ABRS3KMO
SCHEMBL2704405 0.64 CNR1 (0.66) FFAR4KDM5AKDM4CXDHMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed