SCHEMBL116009

SCHEMBL116009

C=CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.74
CYP3A4 P08684 9/20 0.71
CYP2C9 P11712 7/20 0.71
KCNH2 Q12809 1/20 0.69
CYP2C19 P33261 5/20 0.62
HSD3B2 P26439 1/20 0.55

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
SCHEMBL957447 1.00 HSD11B1 (0.74) HSD11B1CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL957449 1.00 HSD11B1 (0.74) HSD11B1CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL116671 1.00 HSD11B1 (0.74) HSD11B1CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL116697 1.00 HSD11B1 (0.74) HSD11B1CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL3639910 1.00 HSD11B1 (0.74) HSD11B1CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL958933 1.00 HSD11B1 (0.74) HSD11B1CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL959275 0.95 HSD11B1 (0.67) HSD11B1CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL959276 0.95 HSD11B1 (0.67) HSD11B1CYP3A4CYP2C9KCNH2CYP2C19
SCHEMBL956305 0.92 HSD11B1 (0.73) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2
SCHEMBL956306 0.92 HSD11B1 (0.73) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2

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 119 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
US-8883778-B2 Cyclic inhibitors of 11 beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
WO-2009134400-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 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-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