SCHEMBL14723846

SCHEMBL14723846

Cc1ccccc1/C=C/C(=O)N1CCC2(CC1)NC(=O)c1cccc(Br)c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.47
APP P05067 1/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.36
AR P10275 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL1950810 0.86 GPR183 (0.50) GPR183MAPTL3MBTL1KDM4ENPC1
SCHEMBL1950814 0.86 GPR183 (0.50) GPR183MAPTL3MBTL1KDM4ENPC1
SCHEMBL1953413 0.74 GPR183 (0.48) GPR183MAPTL3MBTL1RAB9AKMT2A
SCHEMBL1953415 0.74 GPR183 (0.48) GPR183MAPTL3MBTL1RAB9AKMT2A
SCHEMBL12548597 0.74 PDE7A (0.47) GPR183APPHPGDMAPTL3MBTL1
SCHEMBL12548905 0.73 GPR183 (0.44) GPR183APPHPGDMAPTL3MBTL1
SCHEMBL14723844 0.72 GPR183 (0.47) GPR183MAPTL3MBTL1
SCHEMBL1949275 0.71 GPR183 (0.51) GPR183MAPTL3MBTL1KDM4ENPC1
SCHEMBL1949277 0.71 GPR183 (0.51) GPR183MAPTL3MBTL1KDM4ENPC1
SCHEMBL11477379 0.70 GPR183 (0.56) GPR183APPHPGDMAPTL3MBTL1

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