SCHEMBL1035028

SCHEMBL1035028

O=C(NC1CCN(C(=O)OC2C3CC4CC2CC(C(=O)NI)(C4)C3)C1)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 19/20 0.73
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ CYP3A4 P08684 7/20 0.46
▸ CYP2D6 P10635 6/20 0.46
▸ CYP2C9 P11712 5/20 0.46
▸ HSD11B2 P80365 2/20 0.45

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
SCHEMBL1772007 0.90 HSD11B1 (0.75) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1772008 0.90 HSD11B1 (0.75) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1771721 0.90 HSD11B1 (0.75) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1772005 0.90 HSD11B1 (0.75) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1771719 0.90 HSD11B1 (0.75) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1035360 0.85 HSD11B1 (1.00) HSD11B1CTSLCTSBCTSKCYP2C9
SCHEMBL1035361 0.85 HSD11B1 (1.00) HSD11B1CTSLCTSBCTSKCYP2C9
SCHEMBL1034585 0.81 HSD11B1 (0.69) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL1031163 0.77 HSD11B1 (0.61) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL13161203 0.77 HSD11B1 (0.72) HSD11B1CTSLCTSBCTSK

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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