SCHEMBL5312062

SCHEMBL5312062

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.49
SMN1; SMN2 Q16637 7/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 7/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 2/20 0.37
PKM P14618 2/20 0.37
DGAT1 O75907 1/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.36
HPGDS O60760 2/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL5315119 0.89 SCD (0.44) SCDSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL5307544 0.88 SCD (0.51) SCDSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL5312064 0.84 SCD (0.43) SCD
SCHEMBL5313381 0.83 SCD (0.41) SCDSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL5312893 0.82 SCD (0.41) SCDSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL5309041 0.82 SCD (0.50) SCDSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL5306364 0.81 SCD (0.45) SCDSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL5311766 0.79 F10 (0.47) SMN1; SMN2ALDH1A1RAB9ANPC1TSHR
SCHEMBL5313384 0.79 SCD (0.40) SCD
SCHEMBL5308876 0.76 SCD (0.63) SCD

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