SCHEMBL1033110

SCHEMBL1033110

N#Cc1cccnc1NC1CCN(C(=O)OC2C3CC4CC2CC(C(=O)NI)(C4)C3)C1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 20/20 0.83
▸ CYP3A4 P08684 9/20 0.83
▸ CYP2D6 P10635 8/20 0.83
▸ HSD11B2 P80365 2/20 0.83
▸ CYP2C9 P11712 7/20 0.61

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
SCHEMBL19255862 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6HSD11B2CYP2C9
SCHEMBL1031723 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6HSD11B2CYP2C9
SCHEMBL1031724 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6HSD11B2CYP2C9
SCHEMBL1034029 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6HSD11B2CYP2C9
SCHEMBL1771476 0.91 HSD11B1 (0.85) HSD11B1CYP3A4CYP2D6HSD11B2CYP2C9
SCHEMBL12596538 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6HSD11B2CYP2C9
SCHEMBL1771113 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6HSD11B2CYP2C9
SCHEMBL12596596 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6HSD11B2CYP2C9
SCHEMBL1771474 0.91 HSD11B1 (0.85) HSD11B1CYP3A4CYP2D6HSD11B2CYP2C9
SCHEMBL1034031 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6HSD11B2CYP2C9

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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