SCHEMBL14972742

SCHEMBL14972742

CCCCc1nc(N2CC3C(C2)C3OC(=O)O)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.64
IDH1 O75874 7/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43

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
SCHEMBL1974756 0.88 HSD11B1 (0.69) HSD11B1IDH1
SCHEMBL3250173 0.83 HSD11B1 (0.68) HSD11B1IDH1
SCHEMBL3250791 0.83 HSD11B1 (0.78) HSD11B1IDH1
SCHEMBL3247089 0.81 HSD11B1 (0.77) HSD11B1IDH1
SCHEMBL3237276 0.78 HSD11B1 (0.88) HSD11B1IDH1
SCHEMBL1973938 0.78 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL3237290 0.77 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL13271536 0.76 HSD11B1 (0.54) HSD11B1IDH1
SCHEMBL1971793 0.75 HSD11B1 (0.57) HSD11B1CNR2CNR1
SCHEMBL3244325 0.75 HSD11B1 (0.81) 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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP claimed