SCHEMBL3397536

SCHEMBL3397536

CCCSc1nc(N2CCC[C@H](OC(C)=O)C2)ccc1C(=O)N(C)C1C2CC3CC1CC(OC)(C3)C2

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.46
IDH1 O75874 1/20 0.40

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
SCHEMBL12571420 0.87 HSD11B1 (0.61) HSD11B1IDH1
SCHEMBL2008046 0.87 HSD11B1 (0.61) HSD11B1IDH1
SCHEMBL2008048 0.87 HSD11B1 (0.61) HSD11B1IDH1
SCHEMBL12571428 0.87 HSD11B1 (0.53) HSD11B1IDH1
SCHEMBL2009631 0.86 HSD11B1 (0.48) HSD11B1IDH1
SCHEMBL2009632 0.86 HSD11B1 (0.48) HSD11B1IDH1
SCHEMBL12571444 0.79 HSD11B1 (0.61) HSD11B1IDH1
SCHEMBL1969219 0.78 HSD11B1 (0.56) HSD11B1
SCHEMBL12571429 0.78 HSD11B1 (0.56) HSD11B1
SCHEMBL1969216 0.78 HSD11B1 (0.56) HSD11B1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed