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Sugi Predict / Compounds / SCHEMBL2006743

SCHEMBL2006743

SCHEMBL2006743

O=C(NC1CCCCC1)c1ccc(N2CCC[C@@H](C(C(=O)O)C(C(=O)O)[C@@H]3CCCN(c4ccc(C(=O)NC5C6CC7CC(C6)CC5C7)c(C5CC5)n4)C3)C2)nc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 9/20 0.49
▸ IDH1 O75874 12/20 0.46

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
SCHEMBL2006736 0.86 HSD11B1 (0.65) HSD11B1IDH1
SCHEMBL1973703 0.80 HSD11B1 (0.71) HSD11B1IDH1
SCHEMBL13271633 0.80 HSD11B1 (0.71) HSD11B1IDH1
SCHEMBL2008483 0.77 IDH1 (0.72) HSD11B1IDH1
SCHEMBL13271401 0.77 IDH1 (0.72) HSD11B1IDH1
SCHEMBL3402508 0.74 HSD11B1 (0.74) HSD11B1IDH1
SCHEMBL3402501 0.74 HSD11B1 (0.74) HSD11B1IDH1
SCHEMBL3244181 0.73 IDH1 (0.66) HSD11B1IDH1
SCHEMBL4557637 0.72 IDH1 (0.72) HSD11B1IDH1
SCHEMBL2008000 0.72 IDH1 (0.72) 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