SCHEMBL5808458

SCHEMBL5808458

O=C(O)c1ccc(N2CCC(=Cc3cc(F)ccc3C(F)(F)F)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.39
TTR P02766 4/20 0.39
SLC2A1 P11166 1/20 0.38
RORC P51449 1/20 0.38
SCD O00767 2/20 0.37
ASPH Q12797 1/20 0.36
HDAC3 O15379 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC2 Q92769 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOTUM Q6P988 2/20 0.34

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
SCHEMBL5805823 0.88 PARP1 (0.45) SLC2A1SCDHDAC3KCNH2HDAC2
SCHEMBL5809230 0.88 SLC2A1 (0.44) SLC2A1SCDHDAC3KCNH2HDAC2
SCHEMBL5808456 0.87 RORC (0.46) RBP4TTRSLC2A1RORCSCD
SCHEMBL5806175 0.82 SCD (0.44) RBP4TTRSCD
SCHEMBL5810600 0.79 OGA (0.40) RORCSCD
SCHEMBL5809603 0.78 DPP4 (0.43)
SCHEMBL2720264 0.78 SCD (0.55) SCD
SCHEMBL5808108 0.77 SCD (0.47) SLC2A1RORCSCDHDAC3HDAC2
SCHEMBL2719681 0.76 SCD (0.55) SCD
SCHEMBL5805819 0.76 SCD (0.47) RBP4SCDHDAC3KCNH2HDAC2

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-2006125181-A2 PIPERIDINE DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE MODULATORS XENON PHARMACEUTICALS INC. (CA) 2006-11-23 WO disclosed