SCHEMBL9543541

SCHEMBL9543541

O=C(O)C[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@H]1Cc2ccccc2N1C(=O)OC1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.34
BCHE P06276 1/20 0.32
AKT1 P31749 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
SCHEMBL9542488 0.99 PREP (0.33) PREP
SCHEMBL9545386 0.93 MMP9 (0.37)
SCHEMBL9543570 0.90 PREP (0.38) PREP
SCHEMBL9543981 0.89 PREP (0.37) PREP
SCHEMBL9544300 0.89 PREP (0.37) PREP
SCHEMBL9544923 0.89 PREP (0.37) PREP
SCHEMBL9542903 0.88 PREP (0.38) PREP
SCHEMBL9542899 0.88 PREP (0.38) PREP
SCHEMBL9544782 0.88 OPRD1 (0.36)
SCHEMBL9544069 0.88 OPRD1 (0.36)

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