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SCHEMBL14723832

SCHEMBL14723832

CC(=O)CC1CC2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2c(Br)cccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 1/20 0.45
▸ HSD11B1 P28845 8/20 0.44
▸ NFKB1 P19838 1/20 0.42
▸ HSD11B2 P80365 1/20 0.41
▸ MAOB P27338 4/20 0.36
▸ KEAP1 Q14145 2/20 0.35
▸ NFE2L2 Q16236 2/20 0.35
▸ ITGAL P20701 1/20 0.34
▸ BACE1 P56817 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
SCHEMBL1952348 0.92 HSD11B1 (0.53) GPR183HSD11B1NFKB1HSD11B2MAOB
SCHEMBL1952309 0.92 HSD11B1 (0.53) GPR183HSD11B1NFKB1HSD11B2MAOB
SCHEMBL1952172 0.92 HSD11B1 (0.53) GPR183HSD11B1NFKB1HSD11B2MAOB
SCHEMBL14723830 0.90 HSD11B1 (0.44) GPR183HSD11B1NFKB1MAOBKEAP1
SCHEMBL12548106 0.90 GPR183 (0.42) GPR183HSD11B1NFKB1HSD11B2MAOB
SCHEMBL12548156 0.87 GPR183 (0.48) GPR183HSD11B1NFKB1HSD11B2MAOB
SCHEMBL1953456 0.86 GPR183 (0.49) GPR183HSD11B1NFKB1HSD11B2MAOB
SCHEMBL14723835 0.86 MAOB (0.41) GPR183HSD11B1NFKB1HSD11B2MAOB
SCHEMBL14723833 0.86 HSD11B1 (0.45) GPR183HSD11B1NFKB1HSD11B2MAOB
SCHEMBL1952170 0.85 GPR183 (0.48) GPR183HSD11B1NFKB1HSD11B2MAOB

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