SCHEMBL456754

SCHEMBL456754

O=C(O)c1cc(-c2ccc(F)c(F)c2)cnc1OCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.47
FFAR4 Q5NUL3 7/20 0.44
MAP4K4 O95819 1/20 0.42
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CNR1 P21554 2/20 0.40
SYK P43405 1/20 0.40
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL411079 0.80 CNR1 (0.53) FFAR4CNR1
SCHEMBL456755 0.77 FFAR4 (0.45) GRIN2BFFAR4MAP4K4KDM5AKDM4C
SCHEMBL15968176 0.71 CNR1 (0.43) FFAR4MAP4K4KDM4CCNR1
SCHEMBL30963255 0.71 RIPK1 (0.48) FFAR4SYKFFAR1PPARD
SCHEMBL11472242 0.71 RHEB (0.46) KDM4CCNR1
SCHEMBL30963254 0.70 SYK (0.44) SYKFFAR1PPARD
SCHEMBL2702331 0.70 CNR2 (0.53) FFAR4CNR1
SCHEMBL2704405 0.70 CNR1 (0.66) FFAR4MAP4K4KDM5AKDM4CCNR1
SCHEMBL927683 0.70 PARP10 (0.68) FFAR4KDM5AKDM4CPARP10PARP15
SCHEMBL22247444 0.68 PPARD (0.57) FFAR4KDM5AKDM4CFFAR1PPARD

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