SCHEMBL117170

SCHEMBL117170

C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.89
CYP3A4 P08684 5/20 0.85
CYP2C9 P11712 5/20 0.78
CYP2C19 P33261 3/20 0.78
KCNH2 Q12809 1/20 0.76

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
SCHEMBL956000 1.00 HSD11B1 (0.89) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL117171 1.00 HSD11B1 (0.89) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL958196 0.95 HSD11B1 (0.94) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL958198 0.95 HSD11B1 (0.94) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL955578 0.94 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3638352 0.94 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL961024 0.94 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL955580 0.94 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL961027 0.94 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL955653 0.94 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO claimed
EP-2424865-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2017-01-18 EP disclosed
EP-2424865-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2017-01-18 EP disclosed
EP-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
EP-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 EP disclosed
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 EP disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8754076-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Vitae Pharmaceuticals, Inc./Boehringer-Ingelheim (DE) 2014-06-17 US disclosed
US-8754076-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Vitae Pharmaceuticals, Inc./Boehringer-Ingelheim (DE) 2014-06-17 US disclosed
WO-2010011314-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2010010150-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2009134400-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134387-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017671-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed