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Sugi Predict / Compounds / SCHEMBL1969253

SCHEMBL1969253

SCHEMBL1969253

CCCCc1nc(N2CCC[C@@H](CC(=O)O)C2I)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 11/20 0.69
▸ IDH1 O75874 7/20 0.40
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39

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
SCHEMBL1973938 0.82 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL3237276 0.77 HSD11B1 (0.88) HSD11B1IDH1
SCHEMBL1971793 0.74 HSD11B1 (0.57) HSD11B1CNR1CNR2
SCHEMBL1974756 0.74 HSD11B1 (0.69) HSD11B1IDH1
SCHEMBL14972742 0.74 HSD11B1 (0.64) HSD11B1IDH1CNR1CNR2
SCHEMBL13271400 0.71 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL3237290 0.71 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL3402508 0.70 HSD11B1 (0.74) HSD11B1IDH1
SCHEMBL3402501 0.70 HSD11B1 (0.74) HSD11B1IDH1
SCHEMBL1969886 0.68 HSD11B1 (0.67) 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 3 patents. 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
EP-2086939-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 — — EP claimed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 — — WO claimed