SCHEMBL9544280

SCHEMBL9544280

COC(=O)CN(CCC1CCCCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.50
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
ACE P12821 2/20 0.47
CACNA1B Q00975 1/20 0.45
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
BCHE P06276 1/20 0.43
MAPK1 P28482 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
SCHEMBL9544276 1.00 REN (0.50) RENCTSSCTSLCTSBCTSK
SCHEMBL9544311 0.95 REN (0.49) RENCTSSCTSLCTSBCTSK
SCHEMBL9544308 0.95 REN (0.49) RENCTSSCTSLCTSBCTSK
SCHEMBL9543941 0.91 CTSK (0.48) RENCTSSCTSKCACNA1B
SCHEMBL9545016 0.81 CTSK (0.49) CTSSCTSKCACNA1B
SCHEMBL2541326 0.79 CTSS (0.57) RENCTSSCTSLCTSBCTSK
SCHEMBL2541327 0.79 CTSS (0.57) RENCTSSCTSLCTSBCTSK
SCHEMBL9543432 0.78 BCHE (0.45) ACEBCHE
SCHEMBL9543437 0.78 BCHE (0.45) ACEBCHE
SCHEMBL3494464 0.76 CTSS (0.49) RENCTSSCTSLCTSBCTSK

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