SCHEMBL3244157

SCHEMBL3244157

CC(C)CCSc1nc(N2CC[C@@H](OC(=O)O)C2)ccc1C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.75
HSD11B1 P28845 12/20 0.63

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
SCHEMBL3243438 0.93 HSD11B1 (0.74) IDH1HSD11B1
SCHEMBL1971811 0.89 IDH1 (0.80) IDH1HSD11B1
SCHEMBL1971809 0.89 IDH1 (0.80) IDH1HSD11B1
SCHEMBL13182659 0.89 IDH1 (0.80) IDH1HSD11B1
SCHEMBL1971806 0.89 IDH1 (0.80) IDH1HSD11B1
SCHEMBL14972845 0.88 IDH1 (0.82) IDH1HSD11B1
SCHEMBL14972814 0.88 HSD11B1 (0.76) IDH1HSD11B1
SCHEMBL2007321 0.86 IDH1 (1.00) IDH1HSD11B1
SCHEMBL2011257 0.86 IDH1 (1.00) IDH1HSD11B1
SCHEMBL13182783 0.86 IDH1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP claimed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 EP claimed