SCHEMBL5310049

SCHEMBL5310049

O=C(Nc1ccc(F)cc1)c1ccc(N2CCCN(C(=O)c3c(F)cccc3C(F)(F)F)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
PKM P14618 1/20 0.49
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
STAT3 P40763 1/20 0.44
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DGAT1 O75907 1/20 0.42

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
SCHEMBL5309407 0.88 SCD (0.53) KDM4EPKMKCNQ3KCNQ2NPC1
SCHEMBL5312019 0.85 SCD (0.48) KDM4EPKMNPC1RAB9AMAPT
SCHEMBL5307319 0.80 SCD (0.59) KCNQ3KCNQ2RAB9AMAPTSMN1; SMN2
SCHEMBL5312271 0.80 KCNQ3 (0.48) KDM4EPKMKCNQ3KCNQ2RAB9A
SCHEMBL5307094 0.76 SCD (0.60) KDM4ERAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL5309112 0.74 SCD (0.53) KDM4ENPC1RAB9AGAAFASN
SCHEMBL5306879 0.74 SCD (0.59) KDM4EPOLB
SCHEMBL5307079 0.74 SCD (0.46) KDM4EPKMKCNQ3KCNQ2RAB9A
SCHEMBL5309076 0.74 SCD (0.43) KDM4EALDH1A1
SCHEMBL5309805 0.73 SCD (0.43) KDM4EPKMKCNQ3KCNQ2NPC1

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