SCHEMBL4124959

SCHEMBL4124959

O=C(OC1C2CC3CC(C2)CC1C3)C1c2ccccc2C2(CCNCC2)CN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.39
HSD11B2 P80365 1/20 0.36
HSD3B1 P14060 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
P2RY1 P47900 1/20 0.30

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
SCHEMBL4132799 0.89 HSD11B1 (0.36) HSD11B1HSD11B2HSD3B1SRD5A1SRD5A2
SCHEMBL4118605 0.82 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL4122052 0.81 HSD11B1 (0.35) HSD11B1HSD11B2
SCHEMBL4116754 0.80 ACE (0.35) HSD11B1ROCK2ROCK1P2RY1
SCHEMBL4121307 0.72 HSD11B1 (0.45) HSD11B1HSD11B2
SCHEMBL4117101 0.72 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL4116886 0.71 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL4110069 0.71 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL3994423 0.70 DPP9 (0.35) ROCK2ROCK1P2RY1
Hydrochloric Acid SCHEMBL1747690 0.70 NOTUM (0.34) ROCK2ROCK1P2RY1

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-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