Sugi Predict

Sugi Predict / Compounds / SCHEMBL4132799

SCHEMBL4132799

SCHEMBL4132799

O=C(O)CCC(=O)N1CC2(CCNCC2)c2ccccc2[C@@H]1C(=O)OC1C2CC3CC(C2)CC1C3

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 0.36
▸ HSD11B2 P80365 1/20 0.36
▸ HSD3B1 P14060 1/20 0.30
▸ SRD5A1 P18405 1/20 0.30
▸ SRD5A2 P31213 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
SCHEMBL4124959 0.89 HSD11B1 (0.39) HSD11B1HSD11B2HSD3B1SRD5A1SRD5A2
SCHEMBL4122052 0.83 HSD11B1 (0.35) HSD11B1HSD11B2
SCHEMBL4119003 0.72 HSD11B1 (0.40) HSD11B1HSD11B2
SCHEMBL4108958 0.72 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL4118605 0.72 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL4114874 0.71 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL4117101 0.70 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL4114112 0.70 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL4116754 0.69 ACE (0.35) HSD11B1
SCHEMBL4121307 0.68 HSD11B1 (0.45) HSD11B1HSD11B2

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