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SCHEMBL1972181

SCHEMBL1972181

CCCN(C)c1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1.CN(CCc1ccccc1)c1nc([C@]2(CC(=O)O)CCCNC2)ccc1C(=O)NC1CCCCC1.O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(N3CCCC3)n2)C1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.64
▸ IDH1 O75874 13/20 0.50

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
SCHEMBL1973300 0.86 HSD11B1 (0.48) HSD11B1IDH1
SCHEMBL1973297 0.86 HSD11B1 (0.88) HSD11B1IDH1
SCHEMBL4449144 0.83 HSD11B1 (0.43) HSD11B1IDH1
SCHEMBL2009424 0.83 HSD11B1 (0.82) HSD11B1IDH1
SCHEMBL13182665 0.83 HSD11B1 (0.82) HSD11B1IDH1
SCHEMBL1976982 0.82 HSD11B1 (0.69) HSD11B1IDH1
SCHEMBL2009952 0.80 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL3400038 0.78 HSD11B1 (0.74) HSD11B1IDH1
SCHEMBL14981087 0.76 HSD11B1 (0.69) HSD11B1IDH1
SCHEMBL1970094 0.76 MEN1 (0.48) 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
EP-2086939-B8 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2011-06-22 — — EP claimed