SCHEMBL3645359

COc1ccc([C@H](C)N2CC[C@](CCC(N)=O)(c3ccc(F)cc3)OC2=O)cc1.C[C@@H](c1cccc(F)c1)N1CC[C@](CCC(N)=O)(c2ccc(F)cc2)OC1=O

nearest known ligand 0.87

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	HSD11B1	P28845	20/20	0.87

▸	CYP3A4	P08684	6/20	0.74

▸	KCNH2	Q12809	2/20	0.74

▸	CYP2C9	P11712	4/20	0.70

▸	CYP2C19	P33261	3/20	0.70

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.

Compound	similarity	top predicted	shared targets
SCHEMBL3645360	1.00	HSD11B1 (0.87)	HSD11B1CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL3644284	1.00	HSD11B1 (0.87)	HSD11B1CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL956753	0.93	HSD11B1 (1.00)	HSD11B1CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL956751	0.93	HSD11B1 (1.00)	HSD11B1CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL956752	0.93	HSD11B1 (1.00)	HSD11B1CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL959687	0.93	HSD11B1 (0.82)	HSD11B1CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL959686	0.93	HSD11B1 (0.82)	HSD11B1CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL959688	0.93	HSD11B1 (0.82)	HSD11B1CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL956494	0.87	HSD11B1 (1.00)	HSD11B1CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL956495	0.87	HSD11B1 (1.00)	HSD11B1CYP3A4KCNH2CYP2C9CYP2C19

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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