SCHEMBL1031163

SCHEMBL1031163

O=C(OC1C2CC3CC1CC(C(=O)NI)(C3)C2)N1CCC(Nc2ncccn2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 20/20 0.61
▸ CYP3A4 P08684 9/20 0.59
▸ CYP2D6 P10635 8/20 0.59
▸ CYP2C9 P11712 7/20 0.59
▸ HSD11B2 P80365 2/20 0.59

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
SCHEMBL1771214 0.89 HSD11B1 (0.75) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1771217 0.89 HSD11B1 (0.75) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1771215 0.89 HSD11B1 (0.75) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1030906 0.85 HSD11B1 (0.61) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1033110 0.85 HSD11B1 (0.83) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL2636812 0.79 HSD11B1 (0.78) HSD11B1
SCHEMBL1034585 0.77 HSD11B1 (0.69) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1035028 0.77 HSD11B1 (0.73) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL15259423 0.77 HSD11B1 (0.82) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1034722 0.77 HSD11B1 (0.82) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2

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-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 — — EP disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 — — WO disclosed
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