SCHEMBL14723844

SCHEMBL14723844

Cc1cc(Cl)c2c(c1)C(=O)NC21CCN(C(=O)/C=C/c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.47
NFKB1 P19838 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 6/20 0.37
ITGAL P20701 4/20 0.36
ITGB2 P05107 3/20 0.36
ICAM1 P05362 3/20 0.36
F2R P25116 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL1952237 0.92 GPR183 (0.46) GPR183NFKB1MAPTL3MBTL1MAOB
SCHEMBL1952234 0.92 GPR183 (0.46) GPR183NFKB1MAPTL3MBTL1MAOB
SCHEMBL1953413 0.89 GPR183 (0.48) GPR183NFKB1MAPTL3MBTL1MAOB
SCHEMBL1953415 0.89 GPR183 (0.48) GPR183NFKB1MAPTL3MBTL1MAOB
SCHEMBL1950810 0.81 GPR183 (0.50) GPR183NFKB1MAPTL3MBTL1MAOB
SCHEMBL1950814 0.81 GPR183 (0.50) GPR183NFKB1MAPTL3MBTL1MAOB
SCHEMBL14723859 0.81 CNR1 (0.48) MAPTLMNAATMSMN1; SMN2NPSR1
SCHEMBL14723874 0.80 OPRD1 (0.44) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL15061818 0.76 GPR183 (0.44) GPR183NFKB1MAPTL3MBTL1MAOB
SCHEMBL12569927 0.75 GPR183 (0.44) GPR183NFKB1MAPTMAOBITGAL

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
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed