SCHEMBL1972695

SCHEMBL1972695

O=C(O)C[C@@]1(c2ccc(C(=O)NC3CCCCC3)c(SCCc3cnccn3)n2)CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.44
IDH1 O75874 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1972456 0.87 HSD11B1 (0.43) HSD11B1IDH1ALDH1A1
SCHEMBL1967351 0.85 HSD11B1 (0.61) HSD11B1
SCHEMBL1969176 0.81 HSD11B1 (0.61) HSD11B1
SCHEMBL1971051 0.81 HSD11B1 (0.61) HSD11B1
SCHEMBL1968067 0.80 HSD11B1 (0.51) HSD11B1IDH1ALDH1A1
SCHEMBL4447623 0.79 HSD11B1 (0.52) HSD11B1
SCHEMBL1969837 0.79 HSD11B1 (0.49) HSD11B1ALDH1A1
SCHEMBL1971135 0.77 HSD11B1 (0.53) HSD11B1
SCHEMBL1970498 0.77 HSD11B1 (0.41) HSD11B1ALDH1A1
SCHEMBL1970361 0.76 HSD11B1 (0.51) HSD11B1IDH1ALDH1A1

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