SCHEMBL5306274

SCHEMBL5306274

O=C(Nc1cccnn1)c1ccc(N2CCCN(C(=O)c3cc(F)cc(F)c3C(F)(F)F)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.42
KDM4E B2RXH2 2/20 0.40
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
FASN P49327 4/20 0.37
PKM P14618 1/20 0.37
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
RAB9A P51151 1/20 0.37
SCD O00767 2/20 0.37
HDAC2 Q92769 1/20 0.36

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
SCHEMBL5312649 0.87 SCD (0.43) FAAHSCD
SCHEMBL5310015 0.85 SCD (0.51) FASNSCD
SCHEMBL5312567 0.85 FAAH (0.37) FAAHKDM4EKCNQ3KCNQ2SCD
SCHEMBL5306277 0.84 FAAH (0.37) FAAHKDM4ESCDHDAC2
SCHEMBL5312568 0.80 FAAH (0.37) FAAHKDM4EHDAC2
SCHEMBL5309805 0.78 SCD (0.43) KDM4EKCNQ3KCNQ2FASNPKM
SCHEMBL5311766 0.77 F10 (0.47) PKMRAB9A
SCHEMBL5309112 0.76 SCD (0.53) KDM4EFASNRAB9ASCD
SCHEMBL5312271 0.74 KCNQ3 (0.48) KDM4EKCNQ3KCNQ2FASNPKM
SCHEMBL5306259 0.73 SCD (0.38) FAAHSCD

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