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SCHEMBL3245326

SCHEMBL3245326

CSc1nc(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 14/20 1.00
▸ PDE4A P27815 1/20 0.71
▸ HSD17B3 P37058 1/20 0.71
▸ PDE4B Q07343 1/20 0.71
▸ PDE4C Q08493 1/20 0.71
▸ PDE4D Q08499 1/20 0.71
▸ SIGMAR1 Q99720 1/20 0.71
▸ IDH1 O75874 8/20 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
SCHEMBL4104063 1.00 HSD11B1 (1.00) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL3982044 1.00 HSD11B1 (1.00) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL2005340 1.00 HSD11B1 (1.00) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL2008767 0.90 HSD11B1 (0.82) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL12571564 0.90 HSD11B1 (0.82) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL12571126 0.89 HSD11B1 (1.00) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL3246647 0.89 HSD11B1 (1.00) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL2011249 0.89 HSD11B1 (1.00) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL3401273 0.89 HSD11B1 (1.00) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL12571106 0.88 HSD11B1 (0.86) HSD11B1PDE4AHSD17B3PDE4BPDE4C

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-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 — — EP disclosed