SCHEMBL1976982

SCHEMBL1976982

CCCOc1nc([C@]2(CC(=O)O)CCCNC2)ccc1C(=O)NC1CCCCC1.O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(N3CCCCC3)n2)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.69
IDH1 O75874 19/20 0.64

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
SCHEMBL1967072 0.84 HSD11B1 (0.52) HSD11B1IDH1
SCHEMBL1969945 0.83 IDH1 (0.64) HSD11B1IDH1
SCHEMBL1967070 0.83 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1972181 0.82 HSD11B1 (0.64) HSD11B1IDH1
SCHEMBL1970094 0.81 MEN1 (0.48) HSD11B1IDH1
SCHEMBL1969252 0.80 HSD11B1 (0.69) HSD11B1IDH1
SCHEMBL1970091 0.79 IDH1 (0.73) HSD11B1IDH1
SCHEMBL1973981 0.79 IDH1 (0.73) HSD11B1IDH1
SCHEMBL13182719 0.79 IDH1 (0.73) HSD11B1IDH1
SCHEMBL13182790 0.79 IDH1 (0.73) 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