SCHEMBL4770432

SCHEMBL4770432

CC1(C)C(=O)N(C2CCCCCC2)CC1COc1ccncc1C#N

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.63
HSD11B2 P80365 5/20 0.63
GPR119 Q8TDV5 3/20 0.34
XDH P47989 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 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
SCHEMBL328769 0.78 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL328803 0.74 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2720948 0.71 HSD11B1 (0.85) HSD11B1HSD11B2
SCHEMBL328946 0.71 HSD11B1 (0.85) HSD11B1HSD11B2
SCHEMBL328846 0.71 HSD11B1 (0.85) HSD11B1HSD11B2
SCHEMBL328843 0.67 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL2720258 0.67 HSD11B1 (0.81) HSD11B1HSD11B2
SCHEMBL2716665 0.67 HSD11B1 (0.81) HSD11B1HSD11B2
SCHEMBL4905160 0.66 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL328993 0.66 HSD11B1 (1.00) HSD11B1HSD11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007719-A2 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME Abbott Laboratories (US) 2008-12-31 EP disclosed
WO-2007118185-A2 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed