SCHEMBL3402501

CCCCc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1.O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)c(C3CC3)n2)C1.O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(C3CC3)n2)C1.O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3C4CC5CC3C[C@@](O)(C5)C4)c(C3CC3)n2)C1

nearest known ligand 0.74

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	HSD11B1	P28845	9/20	0.74

▸	IDH1	O75874	11/20	0.57

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
SCHEMBL3402508	1.00	HSD11B1 (0.74)	HSD11B1IDH1
SCHEMBL1968450	0.89	HSD11B1 (0.89)	HSD11B1IDH1
SCHEMBL3402506	0.88	HSD11B1 (0.57)	HSD11B1IDH1
SCHEMBL2008002	0.87	IDH1 (0.72)	HSD11B1IDH1
SCHEMBL4557637	0.87	IDH1 (0.72)	HSD11B1IDH1
SCHEMBL2006736	0.87	HSD11B1 (0.65)	HSD11B1IDH1
SCHEMBL2008000	0.87	IDH1 (0.72)	HSD11B1IDH1
SCHEMBL1973938	0.86	HSD11B1 (1.00)	HSD11B1IDH1
SCHEMBL1969395	0.84	HSD11B1 (1.00)	HSD11B1IDH1
SCHEMBL14215856	0.84	HSD11B1 (1.00)	HSD11B1IDH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2233480-A1	Chemical compounds	AstraZeneca AB (SE)	2010-09-29	—	—	EP	disclosed