Sugi Predict

Sugi Predict / Compounds / SCHEMBL3244559

SCHEMBL3244559

SCHEMBL3244559

CCCSc1nc(N2CCC(OC(=O)O)(C(C)C)CC2)ccc1C(=O)NC1CCCCC1.CCCSc1nc(NC2CCC(OC(=O)O)CC2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 19/20 0.58
▸ IDH1 O75874 1/20 0.48

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
SCHEMBL14972786 0.91 HSD11B1 (0.69) HSD11B1IDH1
SCHEMBL14972840 0.85 HSD11B1 (0.78) HSD11B1
SCHEMBL3249719 0.83 HSD11B1 (0.78) HSD11B1IDH1
SCHEMBL3244557 0.83 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL3244996 0.82 HSD11B1 (0.73) HSD11B1IDH1
SCHEMBL3249240 0.81 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL2004970 0.79 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL3236442 0.79 HSD11B1 (0.76) HSD11B1IDH1
SCHEMBL14972842 0.78 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL3243681 0.78 HSD11B1 (0.77) 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-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 — — EP claimed