SCHEMBL208038

SCHEMBL208038

CN(C)CC[NH+]([O-])C(=O)c1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE7A Q13946 2/20 0.32
PDE1C Q14123 2/20 0.32
PDE3A Q14432 2/20 0.32

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
SCHEMBL207210 0.84 PDE7A (0.41) HSD11B1ITGB3ITGA2BPDE1APDE1B
SCHEMBL208998 0.83 HSD11B1 (0.45) HSD11B1ITGB3ITGA2B
SCHEMBL208204 0.83 PDE4D (0.49) HSD11B1PDE1APDE1BPDE4DPDE7A
SCHEMBL208714 0.81 HSD11B1 (0.41) HSD11B1ITGB3ITGA2BPDE7A
SCHEMBL209306 0.81 HSD11B1 (0.51) HSD11B1PDE1APDE1BPDE4DPDE7A
SCHEMBL208781 0.81 HSD11B1 (0.43) HSD11B1ITGB3ITGA2B
SCHEMBL15216431 0.81 HSD11B1 (0.44) HSD11B1ITGB3ITGA2B
SCHEMBL2721694 0.80 HSD11B1 (0.40) HSD11B1ITGB3ITGA2B
SCHEMBL15204476 0.80 HSD11B1 (0.40) HSD11B1ITGB3ITGA2B
SCHEMBL209754 0.80 HSD11B1 (0.45) HSD11B1PDE7A

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
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US claimed
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed