SCHEMBL1973018

SCHEMBL1973018

CCCSc1nc(N2CCC(C(=O)O)C2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3.CCCSc1nc(N2CCC[C@H]2C(=O)O)ccc1C(=O)NC1C2CC3CC(C2)CC1C3.CCCSc1nc(N2CC[C@H](CC(=O)O)C2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.66
IDH1 O75874 3/20 0.58

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
SCHEMBL3239997 0.93 HSD11B1 (0.76) HSD11B1IDH1
SCHEMBL1967236 0.89 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL2004954 0.89 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL1967232 0.89 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL1973868 0.87 HSD11B1 (0.77) HSD11B1IDH1
SCHEMBL4451259 0.87 HSD11B1 (0.86) HSD11B1IDH1
SCHEMBL1967790 0.87 HSD11B1 (0.86) HSD11B1IDH1
SCHEMBL4446082 0.87 HSD11B1 (0.73) HSD11B1IDH1
SCHEMBL2004913 0.87 HSD11B1 (0.86) HSD11B1IDH1
SCHEMBL2007463 0.87 HSD11B1 (0.73) 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-2086939-B8 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2011-06-22 EP claimed