Sugi Predict

Sugi Predict / Compounds / SCHEMBL14215856

SCHEMBL14215856

SCHEMBL14215856

CCCCc1nc(N2CCCC(CC(=O)O)C2)ccc1C(=O)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 8/20 1.00
▸ IDH1 O75874 12/20 0.75

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
SCHEMBL1969395 1.00 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL14981063 0.97 HSD11B1 (0.95) HSD11B1IDH1
SCHEMBL1968450 0.94 HSD11B1 (0.89) HSD11B1IDH1
SCHEMBL14215751 0.90 HSD11B1 (0.81) HSD11B1IDH1
SCHEMBL14215868 0.87 HSD11B1 (0.77) HSD11B1IDH1
SCHEMBL1973938 0.87 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL14215750 0.86 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL1970496 0.85 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL14215857 0.85 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL1970093 0.85 HSD11B1 (1.00) 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
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 — — WO disclosed