SCHEMBL5312893

SCHEMBL5312893

CC(C)C(C)CNC(=O)c1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3F)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.41
MAPK8 P45983 7/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
MGLL Q99685 1/20 0.38
FASN P49327 1/20 0.37
RAB9A P51151 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL5309041 0.90 SCD (0.50) SCDMAPK8ALDH1A1SMN1; SMN2HPGD
SCHEMBL5312895 0.84 SCD (0.36) SCDMAPK8KMT2A
SCHEMBL5315119 0.84 SCD (0.44) SCDALDH1A1SMN1; SMN2HPGDFASN
SCHEMBL5310026 0.83 MAPK8 (0.36) SCDMAPK8
SCHEMBL5312062 0.82 SCD (0.49) SCDALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL5310725 0.81 SCD (0.41) SCDMAPK8KMT2AALDH1A1SMN1; SMN2
SCHEMBL5306364 0.80 SCD (0.45) SCDMAPK8KMT2AALDH1A1SMN1; SMN2
SCHEMBL5310028 0.78 EGLN1 (0.37) SCDMAPK8
SCHEMBL5308998 0.76 SCD (0.51) SCDMAPK8
SCHEMBL5309044 0.75 SCD (0.44) SCDALDH1A1RAB9AKDM4E

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