SCHEMBL3988046

SCHEMBL3988046

O=C(NC1C2CC3CC(C2)CC1C3)N1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
HSD11B1 P28845 11/20 0.49
NOTUM Q6P988 2/20 0.45
HSD11B2 P80365 2/20 0.45
EPHX2 P34913 1/20 0.39
AKT1 P31749 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
SCHEMBL1222746 0.80 HSD11B1 (0.62) HSD11B1NOTUMHSD11B2
SCHEMBL6543320 0.78 NOTUM (0.57) ROCK2ROCK1NOTUMAKT1
SCHEMBL16860860 0.78 ROCK2 (0.52) ROCK2ROCK1NOTUMAKT1
SCHEMBL1222044 0.76 HSD11B1 (0.59) HSD11B1HSD11B2
SCHEMBL1572534 0.75 NOTUM (0.63) ROCK2ROCK1NOTUMAKT1
SCHEMBL30232786 0.75 NOTUM (0.63) ROCK2ROCK1NOTUMAKT1
SCHEMBL1222187 0.75 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL1223396 0.74 HSD11B1 (0.58) HSD11B1HSD11B2
SCHEMBL655024 0.74 NOTUM (0.80) ROCK2ROCK1NOTUMAKT1
SCHEMBL4118605 0.74 HSD11B1 (0.47) HSD11B1HSD11B2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064187-A2 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2009-06-03 EP claimed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 WO claimed
EP-2064187-A2 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 WO disclosed