SCHEMBL5312872

SCHEMBL5312872

CC(C)NC(=O)c1ccc(N2CCCN(C(=O)c3cc(F)ccc3C(F)(F)F)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.49
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
KDM4E B2RXH2 5/20 0.43
FASN P49327 2/20 0.42
PKM P14618 1/20 0.41
POLB P06746 1/20 0.40
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
RAB9A P51151 1/20 0.39
PARP1 P09874 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KMT2A Q03164 1/20 0.38
SFRP1 Q8N474 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DGAT1 O75907 1/20 0.38
HPGDS O60760 1/20 0.37

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
SCHEMBL5307079 0.91 SCD (0.46) SCDHCRTR1HCRTR2KDM4EFASN
SCHEMBL5309930 0.88 SCD (0.41) SCDKDM4EFASNPARP1KCNQ3
SCHEMBL5309183 0.85 SCD (0.57) SCDHCRTR1HCRTR2
SCHEMBL5312271 0.85 KCNQ3 (0.48) SCDKDM4EFASNPKMRAB9A
SCHEMBL5312874 0.83 SCD (0.42) SCDHCRTR1HCRTR2KDM4ERAB9A
SCHEMBL5311277 0.82 SCD (0.41) SCDHCRTR1HCRTR2FASNPOLB
SCHEMBL5306879 0.79 SCD (0.59) SCDKDM4EPOLB
SCHEMBL5309407 0.79 SCD (0.53) SCDKDM4EPKMPOLBRAB9A
SCHEMBL2818800 0.77 SCD (0.56) SCDKDM4EFASNKCNQ3KCNQ2
SCHEMBL5307094 0.77 SCD (0.60) SCDKDM4ERAB9ASMN1; SMN2

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