Sugi Predict

Sugi Predict / Compounds / SCHEMBL1969400

SCHEMBL1969400

SCHEMBL1969400

CCCCc1nc([C@]2(CC(=O)O)CCCNC2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 10/20 0.51
▸ CNR2 P34972 5/20 0.40
▸ CNR1 P21554 4/20 0.40
▸ IDH1 O75874 1/20 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
SCHEMBL1968452 0.94 HSD11B1 (0.47) HSD11B1CNR2CNR1IDH1
SCHEMBL1973941 0.86 HSD11B1 (0.52) HSD11B1CNR2CNR1
SCHEMBL1970498 0.85 HSD11B1 (0.41) HSD11B1CNR2CNR1
SCHEMBL1970096 0.85 HSD11B1 (0.51) HSD11B1
SCHEMBL1967351 0.83 HSD11B1 (0.61) HSD11B1
SCHEMBL1967072 0.83 HSD11B1 (0.52) HSD11B1CNR2CNR1IDH1
SCHEMBL1972364 0.83 CNR2 (0.41) HSD11B1CNR2CNR1IDH1
SCHEMBL4455215 0.82 HSD11B1 (0.39) HSD11B1IDH1
SCHEMBL1970094 0.80 MEN1 (0.48) HSD11B1IDH1
SCHEMBL1968067 0.80 HSD11B1 (0.51) 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