SCHEMBL5310683

SCHEMBL5310683

CCNC(=O)c1ccc(N2CCCN(C(=O)c3c(F)cccc3C(F)(F)F)C2=O)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.42
RORC P51449 4/20 0.40
TYK2 P29597 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
CRACR2A Q9BSW2 1/20 0.35
MPL P40238 2/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 2/20 0.35
ITGA4 P13612 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL5309299 0.91 SCD (0.46) SCDRORCALDH1A1SMN1; SMN2RAB9A
SCHEMBL5309833 0.87 SCD (0.53) SCD
SCHEMBL5310684 0.85 SCD (0.40) SCDRORCTYK2JAK2JAK1
SCHEMBL5312019 0.82 SCD (0.48) SCDALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL5309660 0.80 SCD (0.56) SCDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL5309157 0.79 SCD (0.55) SCD
SCHEMBL5315083 0.78 SCD (0.54) SCD
SCHEMBL5315101 0.78 SCD (0.54) SCD
SCHEMBL5312021 0.77 SCD (0.42) SCDRORCTYK2JAK2JAK1
SCHEMBL5309649 0.77 SCD (0.57) SCDALDH1A1SMN1; SMN2RAB9AKDM4E

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-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed