SCHEMBL380490

SCHEMBL380490

CNC(=O)ON1CCC(N2CC[C@@H](Cc3c(Cl)cc(-c4ccc(OC(F)(F)F)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM5 P08912 1/20 0.34
EPHX2 P34913 4/20 0.34
PTGS2 P35354 1/20 0.34
SCN9A Q15858 3/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
GRM2 Q14416 1/20 0.33
MCHR1 Q99705 1/20 0.33
PDE2A O00408 1/20 0.33
OPRM1 P35372 1/20 0.33
FASN P49327 1/20 0.33
MMP12 P39900 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL381499 0.91 MCHR1 (0.34) CHRM3SCN9AMCHR1
SCHEMBL381332 0.91 MCHR1 (0.34) CHRM3SCN9AMCHR1
SCHEMBL381812 0.91 CHRM3 (0.33) CHRM3
SCHEMBL381541 0.90 MAPT (0.34) AKR1C2AKR1C1MCHR1
SCHEMBL381030 0.88 EPHX2 (0.43) AKR1C2AKR1C1CHRM2CHRM1CHRM3
SCHEMBL381324 0.87 KIT (0.33) FFAR4
SCHEMBL381359 0.87 KIT (0.33) FFAR4
SCHEMBL380833 0.86 MCHR1 (0.33) CHRM3EPHX2KDM1AMCHR1
SCHEMBL381134 0.85 CNR1 (0.36) CHRM3SCN9AMCHR1
SCHEMBL381006 0.85 NAMPT (0.34)

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
EP-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP claimed