SCHEMBL9543941

SCHEMBL9543941

COC(=O)CN(CCC1CCCCC1)C(=O)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.48
CTSS P25774 2/20 0.48
CACNA1B Q00975 3/20 0.44
F7 P08709 1/20 0.44
REN P00797 4/20 0.44

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
SCHEMBL9544280 0.91 REN (0.50) CTSKCTSSCACNA1BREN
SCHEMBL9544276 0.91 REN (0.50) CTSKCTSSCACNA1BREN
SCHEMBL9544308 0.86 REN (0.49) CTSKCTSSCACNA1BREN
SCHEMBL9544311 0.86 REN (0.49) CTSKCTSSCACNA1BREN
SCHEMBL9545016 0.83 CTSK (0.49) CTSKCTSSCACNA1B
SCHEMBL9544271 0.81 CTSK (0.59) CTSKCTSSREN
SCHEMBL9544439 0.80 REN (0.40) CTSSREN
SCHEMBL9544104 0.79 BCHE (0.45)
SCHEMBL9543889 0.79 CTSK (0.48) CTSKCTSSCACNA1B
SCHEMBL3494464 0.77 CTSS (0.49) CTSKCTSSCACNA1BF7REN

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