SCHEMBL9543858

SCHEMBL9543858

COC(=O)[C@H]1CCCN1C(=O)C[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.55
KLK5 Q9Y337 1/20 0.50
PREP P48147 6/20 0.46
UCHL1 P09936 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPN1 P18031 1/20 0.45
KLK7 P49862 1/20 0.44
NPC1 O15118 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL9545314 1.00 OPRD1 (0.55) OPRD1KLK5PREPUCHL1MEN1
SCHEMBL9545308 1.00 OPRD1 (0.55) OPRD1KLK5PREPUCHL1MEN1
SCHEMBL9543253 0.85 PTPN1 (0.52) OPRD1KLK5UCHL1MEN1KMT2A
SCHEMBL9543472 0.85 PTPN1 (0.52) OPRD1KLK5UCHL1MEN1KMT2A
SCHEMBL9543464 0.85 PTPN1 (0.52) OPRD1KLK5UCHL1MEN1KMT2A
SCHEMBL27726216 0.82 UCHL1 (0.54) OPRD1UCHL1MEN1KMT2APTPN1
SCHEMBL7302927 0.81 PREP (0.68) KLK5PREP
SCHEMBL9542538 0.80 OPRD1 (0.40) OPRD1KLK5PREPUCHL1
SCHEMBL9542554 0.80 OPRD1 (0.40) OPRD1KLK5PREPUCHL1
SCHEMBL9545363 0.80 OPRD1 (0.40) OPRD1KLK5PREPUCHL1

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