SCHEMBL5309407

SCHEMBL5309407

O=C(Nc1ccc(F)cc1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.53
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
DGAT1 O75907 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
STAT3 P40763 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 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
SCHEMBL5307319 0.92 SCD (0.59) SCDDGAT1KCNQ3KCNQ2SMN1; SMN2
SCHEMBL5310049 0.88 KDM4E (0.49) KDM4EPKMDGAT1KCNQ3KCNQ2
SCHEMBL5307094 0.87 SCD (0.60) SCDKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL5312271 0.86 KCNQ3 (0.48) SCDKDM4EPKMKCNQ3KCNQ2
SCHEMBL5306879 0.86 SCD (0.59) SCDKDM4EPOLB
SCHEMBL5309112 0.86 SCD (0.53) SCDKDM4EGAANPC1TP53
SCHEMBL5307494 0.84 SCD (0.57) SCDKMT2A
SCHEMBL5308876 0.84 SCD (0.63) SCD
SCHEMBL5315058 0.84 SCD (0.51) SCD
SCHEMBL5310015 0.84 SCD (0.51) 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