SCHEMBL3246647

SCHEMBL3246647

CCSc1nc(N2CC3C(C(=O)O)[C@H]3C2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 1.00
IDH1 O75874 7/20 0.67
PDE4A P27815 1/20 0.57
HSD17B3 P37058 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
SIGMAR1 Q99720 1/20 0.57

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
SCHEMBL12571126 1.00 HSD11B1 (1.00) HSD11B1IDH1PDE4AHSD17B3PDE4B
SCHEMBL2011249 1.00 HSD11B1 (1.00) HSD11B1IDH1PDE4AHSD17B3PDE4B
SCHEMBL3401273 1.00 HSD11B1 (1.00) HSD11B1IDH1PDE4AHSD17B3PDE4B
SCHEMBL12571106 0.93 HSD11B1 (0.86) HSD11B1IDH1PDE4AHSD17B3PDE4B
SCHEMBL2006880 0.93 HSD11B1 (0.86) HSD11B1IDH1PDE4AHSD17B3PDE4B
SCHEMBL2010231 0.91 HSD11B1 (0.83) HSD11B1IDH1PDE4AHSD17B3PDE4B
SCHEMBL12571575 0.91 HSD11B1 (0.83) HSD11B1IDH1PDE4AHSD17B3PDE4B
SCHEMBL13600344 0.91 HSD11B1 (0.83) HSD11B1IDH1PDE4AHSD17B3PDE4B
SCHEMBL4104063 0.89 HSD11B1 (1.00) HSD11B1IDH1PDE4AHSD17B3PDE4B
SCHEMBL3982044 0.89 HSD11B1 (1.00) HSD11B1IDH1PDE4AHSD17B3PDE4B

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-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 EP disclosed