SCHEMBL9542538

SCHEMBL9542538

COC(=O)C1CCCN1C(=O)C[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC[C@H](c2ccccc2)N1C(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.40
KLK5 Q9Y337 1/20 0.40
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
UCHL1 P09936 1/20 0.36
PREP P48147 4/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL9545352 1.00 OPRD1 (0.40) OPRD1KLK5DRD2DRD4UCHL1
SCHEMBL9545363 1.00 OPRD1 (0.40) OPRD1KLK5DRD2DRD4UCHL1
SCHEMBL9542554 1.00 OPRD1 (0.40) OPRD1KLK5DRD2DRD4UCHL1
SCHEMBL9544258 0.94 OPRD1 (0.40) OPRD1UCHL1PREP
SCHEMBL9545259 0.94 OPRD1 (0.40) OPRD1UCHL1PREP
SCHEMBL9544898 0.94 OPRD1 (0.40) OPRD1UCHL1PREP
SCHEMBL9544917 0.94 OPRD1 (0.40) OPRD1UCHL1PREP
SCHEMBL9544270 0.94 OPRD1 (0.40) OPRD1UCHL1PREP
SCHEMBL9545273 0.94 OPRD1 (0.40) OPRD1UCHL1PREP
SCHEMBL9545307 0.91 UCHL1 (0.40) OPRD1KLK5DRD2DRD4UCHL1

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