SCHEMBL1972663

SCHEMBL1972663

O=C(O)CO[C@]1(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)c(SC3CCCCC3)n2)CCNC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.49
HSD11B1 P28845 16/20 0.46

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
SCHEMBL1968722 1.00 IDH1 (0.49) IDH1HSD11B1
SCHEMBL1968308 0.99 IDH1 (0.48) IDH1HSD11B1
SCHEMBL1969909 0.99 IDH1 (0.48) IDH1HSD11B1
SCHEMBL1968356 0.85 HSD11B1 (0.56) IDH1HSD11B1
SCHEMBL1971941 0.85 HSD11B1 (0.56) IDH1HSD11B1
SCHEMBL1969937 0.79 IDH1 (0.60) IDH1HSD11B1
SCHEMBL1970951 0.78 IDH1 (0.59) IDH1HSD11B1
SCHEMBL1970743 0.78 IDH1 (0.59) IDH1HSD11B1
SCHEMBL1970351 0.76 HSD11B1 (0.61) IDH1HSD11B1
SCHEMBL1973698 0.76 IDH1 (0.58) IDH1HSD11B1

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 3 patents. 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
EP-2086939-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 EP disclosed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO disclosed