SCHEMBL3244077

SCHEMBL3244077

CCSc1nc(N2CC[C@@H](OC(=O)O)C2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.76
IDH1 O75874 3/20 0.49

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
SCHEMBL3237377 1.00 HSD11B1 (0.76) HSD11B1IDH1
SCHEMBL14972839 0.93 HSD11B1 (0.82) HSD11B1IDH1
SCHEMBL14972787 0.93 HSD11B1 (0.82) HSD11B1IDH1
SCHEMBL3243666 0.90 HSD11B1 (0.69) HSD11B1IDH1
SCHEMBL1969210 0.86 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1969736 0.86 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1969737 0.86 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL3250791 0.86 HSD11B1 (0.78) HSD11B1IDH1
SCHEMBL1967745 0.85 HSD11B1 (0.77) HSD11B1IDH1
SCHEMBL12571583 0.85 HSD11B1 (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP claimed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 EP claimed