SCHEMBL3639013

CC(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(CCCO)(c2ccccc2)OC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	HSD11B1	P28845	20/20	1.00

▸	CYP3A4	P08684	12/20	1.00

▸	CYP2C9	P11712	9/20	1.00

▸	CYP2C19	P33261	6/20	1.00

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
SCHEMBL735679	1.00	HSD11B1 (1.00)	HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL957805	1.00	HSD11B1 (1.00)	HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL957804	1.00	HSD11B1 (1.00)	HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL958750	0.97	HSD11B1 (0.94)	HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL958751	0.97	HSD11B1 (0.94)	HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL960786	0.95	HSD11B1 (1.00)	HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL960784	0.95	HSD11B1 (1.00)	HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL960184	0.94	HSD11B1 (1.00)	HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL3638186	0.94	HSD11B1 (1.00)	HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL960183	0.94	HSD11B1 (1.00)	HSD11B1CYP3A4CYP2C9CYP2C19

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