Sugi Predict

Sugi Predict / Compounds / SCHEMBL9545076

SCHEMBL9545076

SCHEMBL9545076

O=C(O)C[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@H]1Cc2ccccc2N1C(=O)OC1C2CC3CC(C2)CC1C3

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.33
▸ PREP P48147 1/20 0.32

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
SCHEMBL9545303 0.91 PREP (0.35) HSD11B1PREP
SCHEMBL9544297 0.91 PREP (0.35) HSD11B1PREP
SCHEMBL9543541 0.87 PREP (0.34) PREP
SCHEMBL9542488 0.87 PREP (0.33) PREP
SCHEMBL9544069 0.85 OPRD1 (0.36) —
SCHEMBL9544782 0.85 OPRD1 (0.36) —
SCHEMBL9542592 0.83 BCL2 (0.33) —
SCHEMBL9543801 0.81 BCL2 (0.32) —
SCHEMBL9545386 0.81 MMP9 (0.37) —
SCHEMBL9544000 0.80 PREP (0.35) PREP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO disclosed