SCHEMBL5547525

SCHEMBL5547525

CC(C)(C(N)=O)C12CC3CC(CC(c4ccc([N+](=O)[O-])cc4)(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
PGR P06401 2/20 0.54
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
LMNA P02545 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
SCHEMBL18992826 0.76 NPC1 (1.00) NPC1RAB9APGRMEN1KMT2A
SCHEMBL3540640 0.75 NPC1 (0.69) NPC1RAB9APGRMEN1KMT2A
Hydrochloric Acid SCHEMBL7105999 0.75 NPC1 (0.64) NPC1RAB9APGRMEN1KMT2A
SCHEMBL3539080 0.74 NPC1 (0.63) NPC1RAB9APGRMEN1KMT2A
SCHEMBL18992722 0.73 NPC1 (0.69) NPC1RAB9APGRMEN1KMT2A
SCHEMBL7109388 0.73 PGR (0.72) NPC1RAB9APGRALDH1A1GRIN2D
SCHEMBL8087323 0.72 NPC1 (0.64) NPC1RAB9APGRMEN1KMT2A
SCHEMBL1397828 0.71 NPC1 (0.60) NPC1RAB9APGRMEN1KMT2A
SCHEMBL5130200 0.71 RAB9A (0.56) NPC1RAB9APGRMEN1KMT2A
SCHEMBL3455798 0.71 NPC1 (0.59) NPC1RAB9APGRMEN1KMT2A

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-1862181-A2 Combination therapy using an 11B-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2007-12-05 EP disclosed
EP-1854487-A2 Combinations of an 11-beta-hydroxysteroid dehaydrogenase type 1 inhibitor and a glucocorticoid receptor agonist Novo Nordisk A/S (DK) 2007-11-14 EP disclosed