SCHEMBL5309059

SCHEMBL5309059

O=C(NCCCC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.53
DDR1 Q08345 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
DDR2 Q16832 2/20 0.41
MAP3K20 Q9NYL2 2/20 0.41
MAP3K2 Q9Y2U5 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
TNF P01375 1/20 0.38
KIT P10721 1/20 0.38
MYLK4 Q86YV6 1/20 0.38
RPS6KA6 Q9UK32 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5307182 0.98 SCD (0.54) SCDDDR1MAPK11MAPK14DDR2
SCHEMBL5309115 0.95 SCD (0.53) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL5315075 0.91 SCD (0.50) SCDMAPK14ALDH1A1SMN1; SMN2HPGD
SCHEMBL5312604 0.90 SCD (0.41) SCDDDR1MAPK11MAPK14DDR2
SCHEMBL5309157 0.90 SCD (0.55) SCDDCTPP1
SCHEMBL5315083 0.89 SCD (0.54) SCDDCTPP1
SCHEMBL5315101 0.89 SCD (0.54) SCDDCTPP1
SCHEMBL5309660 0.88 SCD (0.56) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL5309728 0.87 ALDH1A1 (0.41) SCDDDR1MAPK11MAPK14DDR2
SCHEMBL5309833 0.87 SCD (0.53) SCDDCTPP1

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