SCHEMBL3404516

SCHEMBL3404516

CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3.CCCSc1nc(N2CC[C@H](OCC(=O)O)C2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.86
IDH1 O75874 4/20 0.64

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
SCHEMBL1968358 0.93 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1968353 0.93 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL2010101 0.93 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1973868 0.92 HSD11B1 (0.77) HSD11B1IDH1
SCHEMBL3404521 0.91 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL2004954 0.89 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL1967232 0.89 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL1967236 0.89 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL2010612 0.85 HSD11B1 (0.88) HSD11B1IDH1
SCHEMBL2048869 0.85 HSD11B1 (0.88) 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-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed