SCHEMBL4780908

SCHEMBL4780908

CC(C)(C)OC(=O)NC1C2CN(c3cc(F)c(F)cc3F)CC21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.39
NFKB2 Q00653 4/20 0.39
RELA Q04206 4/20 0.39
USP30 Q70CQ3 2/20 0.38
GAA P10253 1/20 0.37
CHRM4 P08173 1/20 0.37
KDM4D Q6B0I6 4/20 0.37
CTSK P43235 2/20 0.36
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL28681203 0.81 AAK1 (0.42) NFKB1NFKB2RELAUSP30GAA
SCHEMBL6477993 0.81 MAPT (0.48) DPP4
SCHEMBL5466436 0.81 MAPT (0.48) DPP4
SCHEMBL4775360 0.80 NFKB1 (0.40) NFKB1NFKB2RELAGAAKDM4D
SCHEMBL4519973 0.78 USP30 (0.36) USP30GAAKDM4D
SCHEMBL6478544 0.76 MAPT (0.39) NFKB1NFKB2RELAGAAKDM4D
SCHEMBL5742748 0.76 MAPT (0.39) NFKB1NFKB2RELAGAAKDM4D
SCHEMBL5462316 0.76 MAPT (0.39) NFKB1NFKB2RELAGAAKDM4D
SCHEMBL21726933 0.76 CHRM4 (0.40) CHRM4KDM4D
SCHEMBL18952539 0.76 CHRM4 (0.40) CHRM4KDM4D

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-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed