SCHEMBL5309299

SCHEMBL5309299

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.46
CYP2C9 P11712 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
MLYCD O95822 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37
P2RX7 Q99572 8/20 0.36
MPL P40238 2/20 0.35
RORC P51449 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRACR2A Q9BSW2 1/20 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
SCHEMBL5310683 0.91 SCD (0.42) SCDEGLN1MPLRORCKDM4E
SCHEMBL5330801 0.86 SCD (0.46) SCD
SCHEMBL5309303 0.85 SCD (0.44) SCDCYP2C9MAPK11MAPK14MLYCD
SCHEMBL5313381 0.83 SCD (0.41) SCDCYP2C9MAPK11MAPK14EGLN1
SCHEMBL5309833 0.80 SCD (0.53) SCD
SCHEMBL5312639 0.80 SCD (0.38) SCDCYP2C9MAPK11MAPK14EGLN1
SCHEMBL5309660 0.78 SCD (0.56) SCDALDH1A1RAB9ASMN1; SMN2
SCHEMBL5309157 0.77 SCD (0.55) SCD
SCHEMBL5307536 0.77 SCD (0.49) SCD
SCHEMBL5309649 0.77 SCD (0.57) SCDEGLN1KDM4EALDH1A1MAPK1

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