SCHEMBL14215751

SCHEMBL14215751

O=C(O)CC1CCCN(c2ccc(C(=O)NC3CCCCC3)c(CCCCc3ccccc3)n2)C1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.81
IDH1 O75874 14/20 0.73

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
SCHEMBL14215868 0.91 HSD11B1 (0.77) HSD11B1IDH1
SCHEMBL14981063 0.90 HSD11B1 (0.95) HSD11B1IDH1
SCHEMBL1969395 0.90 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL14215856 0.90 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL13182605 0.87 IDH1 (0.92) HSD11B1IDH1
SCHEMBL1975070 0.87 IDH1 (0.92) HSD11B1IDH1
SCHEMBL1973690 0.86 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL14215694 0.86 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL3244150 0.85 IDH1 (0.87) HSD11B1IDH1
SCHEMBL2009565 0.85 IDH1 (0.87) 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
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO disclosed