Sugi Predict

Sugi Predict / Compounds / SCHEMBL4455221

SCHEMBL4455221

SCHEMBL4455221

Cc1nc(N2CCC[C@@H](CC(=O)OC(=O)C[C@@H]3CCCN(c4ccc(C(=O)NC56CC7CC(CC(C7)C5)C6)c(C)n4)C3)C2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.56
▸ IDH1 O75874 15/20 0.54

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
SCHEMBL4455218 0.92 HSD11B1 (0.66) HSD11B1IDH1
SCHEMBL1968901 0.85 HSD11B1 (0.55) HSD11B1IDH1
SCHEMBL1969633 0.84 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL3399824 0.78 HSD11B1 (0.52) HSD11B1IDH1
SCHEMBL3399818 0.78 HSD11B1 (0.68) HSD11B1IDH1
SCHEMBL12571453 0.76 HSD11B1 (0.64) HSD11B1IDH1
SCHEMBL14981046 0.74 IDH1 (0.63) HSD11B1IDH1
SCHEMBL3237290 0.74 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL3404521 0.74 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL1973703 0.73 HSD11B1 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086939-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 — — EP claimed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 — — WO claimed