SCHEMBL5312271

SCHEMBL5312271

O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCN(C(=O)c3cc(F)ccc3C(F)(F)F)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.48
KCNQ2 O43526 4/20 0.48
SCD O00767 4/20 0.47
KDM4E B2RXH2 4/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
FASN P49327 1/20 0.43
STAT3 P40763 1/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41

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
SCHEMBL5307319 0.89 SCD (0.59) KCNQ3KCNQ2SCDSMN1; SMN2MAPT
SCHEMBL5309407 0.86 SCD (0.53) KCNQ3KCNQ2SCDKDM4EPKM
SCHEMBL5307079 0.86 SCD (0.46) KCNQ3KCNQ2SCDKDM4EPKM
SCHEMBL5312872 0.85 SCD (0.49) KCNQ3KCNQ2SCDKDM4EPKM
SCHEMBL5313442 0.83 KCNQ3 (0.42) KCNQ3KCNQ2SCDKDM4EPKM
SCHEMBL5312273 0.83 KCNQ3 (0.44) KCNQ3KCNQ2SCDKDM4ESMN1; SMN2
SCHEMBL5315058 0.81 SCD (0.51) SCD
SCHEMBL5310049 0.80 KDM4E (0.49) KCNQ3KCNQ2KDM4EPKMSMN1; SMN2
SCHEMBL5313445 0.77 KCNQ3 (0.43) KCNQ3KCNQ2SCDSMN1; SMN2MAPT
SCHEMBL5309805 0.77 SCD (0.43) KCNQ3KCNQ2SCDKDM4EPKM

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