SCHEMBL5200388

SCHEMBL5200388

O=C1C(Cc2ccccc2)CCN1CCc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
HSD11B1 P28845 4/20 0.47
DAO P14920 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
ROCK2 O75116 1/20 0.38
CYP19A1 P11511 1/20 0.38
MPO P05164 1/20 0.38

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
SCHEMBL14177604 0.85 HSD11B1 (0.55) HRH3HSD11B1ALDH1A1HDAC1HDAC8
SCHEMBL14177608 0.78 HSD11B1 (0.51) HRH3HSD11B1ALDH1A1POLBHDAC1
SCHEMBL6654048 0.78 HSD11B1 (0.56) HSD11B1ALDH1A1SIGMAR1ROCK2
SCHEMBL6654054 0.78 HSD11B1 (0.56) HSD11B1ALDH1A1SIGMAR1ROCK2
SCHEMBL6654051 0.78 HSD11B1 (0.56) HSD11B1ALDH1A1SIGMAR1ROCK2
SCHEMBL5199421 0.77 CYP24A1 (0.45) HSD11B1HDAC1HDAC8HDAC6SIGMAR1
SCHEMBL14177605 0.77 ROCK2 (0.45) HSD11B1ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL6733710 0.76 HSD11B1 (0.57) HSD11B1ALDH1A1POLBHDAC1HDAC8
SCHEMBL5108569 0.75 ACE (0.65) HSD11B1POLB
SCHEMBL17144454 0.75 HDAC1 (0.50) HRH3ALDH1A1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786774-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-23 EP disclosed
EP-1747198-A1 ADAMANTYL PYRROLIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP disclosed
EP-1747199-A1 PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP disclosed
WO-2006024628-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-09 WO disclosed
WO-2005108361-A1 ADAMANTYL PYRROLIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-17 WO disclosed
WO-2005108360-A1 PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-17 WO disclosed