SCHEMBL14215699

SCHEMBL14215699

CCCSc1nc(N2CCC[C@@H](CC(=O)OC)C2)ccc1C(=O)N(C)[C@@H]1CCC2C[C@@]3(O)CC2CC1C3

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.57
IDH1 O75874 4/20 0.53

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
SCHEMBL13271556 0.94 HSD11B1 (0.53) HSD11B1IDH1
SCHEMBL13182670 0.93 HSD11B1 (0.67) HSD11B1IDH1
SCHEMBL13182608 0.89 HSD11B1 (0.56) HSD11B1IDH1
SCHEMBL13271634 0.89 HSD11B1 (0.61) HSD11B1IDH1
SCHEMBL12571444 0.89 HSD11B1 (0.61) HSD11B1IDH1
SCHEMBL14215647 0.89 HSD11B1 (0.61) HSD11B1IDH1
SCHEMBL2010349 0.84 HSD11B1 (0.70) HSD11B1IDH1
SCHEMBL12571428 0.82 HSD11B1 (0.53) HSD11B1IDH1
SCHEMBL13182793 0.82 HSD11B1 (0.66) HSD11B1IDH1
SCHEMBL12571470 0.82 HSD11B1 (0.60) 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
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO disclosed