SCHEMBL1970910

SCHEMBL1970910

CCCNc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1.O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(N3CCN(C(=O)OCc4ccccc4)CC3)n2)C1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.72
IDH1 O75874 14/20 0.61

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
SCHEMBL2004425 0.93 IDH1 (0.71) IDH1
SCHEMBL1970913 0.90 HSD11B1 (0.56) HSD11B1IDH1
SCHEMBL1970093 0.85 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL13182721 0.85 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1973690 0.81 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL14215694 0.81 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL13182816 0.81 HSD11B1 (0.67) HSD11B1IDH1
SCHEMBL2007393 0.81 HSD11B1 (0.67) HSD11B1IDH1
SCHEMBL14215735 0.80 IDH1 (0.69) HSD11B1IDH1
SCHEMBL1975819 0.80 IDH1 (0.69) 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 disclosed