SCHEMBL5313381

SCHEMBL5313381

CC(C)C(C)CNC(=O)c1ccc(N2CCCN(C(=O)c3cccc(F)c3C(F)(F)F)C2=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.41
P2RX7 Q99572 10/20 0.35
CRACR2A Q9BSW2 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5312639 0.90 SCD (0.38) SCDP2RX7CYP2C9MAPK11MAPK14
SCHEMBL5313384 0.86 SCD (0.40) SCDP2RX7CRACR2ACYP2C9MAPK11
SCHEMBL5312062 0.83 SCD (0.49) SCDNPC1ALDH1A1LMNAMAPT
SCHEMBL5310026 0.83 MAPK8 (0.36) SCDP2RX7CYP2C9MAPK11MAPK14
SCHEMBL5309299 0.83 SCD (0.46) SCDP2RX7CRACR2ACYP2C9MAPK11
SCHEMBL5309201 0.80 SCD (0.39) SCDP2RX7CYP2C9MAPK11MAPK14
SCHEMBL5310356 0.80 SMN1; SMN2 (0.44) SCN9ANPC1ALDH1A1TSHRRAB9A
SCHEMBL5312064 0.79 SCD (0.43) SCDP2RX7CRACR2A
SCHEMBL5309833 0.77 SCD (0.53) SCD
SCHEMBL5310683 0.77 SCD (0.42) SCDCRACR2AEGLN1NPC1ALDH1A1

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