SCHEMBL9012544

SCHEMBL9012544

CC(C)(C)OC(=O)N/C(=N/C(=O)c1ccccc1)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.45
PRSS1 P07477 1/20 0.45
CMA1 P23946 17/20 0.44
ACE P12821 1/20 0.44
CTRC Q99895 4/20 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
SCHEMBL9012551 1.00 F2 (0.45) F2PRSS1CMA1ACECTRC
SCHEMBL9012113 0.90 F2 (0.46) F2CMA1ACE
SCHEMBL9012129 0.90 F2 (0.46) F2CMA1ACE
SCHEMBL9012540 0.87 F2 (0.43) F2PRSS1CMA1ACE
SCHEMBL9012550 0.87 F2 (0.43) F2PRSS1CMA1ACE
SCHEMBL9012549 0.86 F2 (0.46) F2PRSS1CMA1
SCHEMBL9012557 0.86 F2 (0.46) F2PRSS1CMA1
SCHEMBL9011941 0.86 F2 (0.51) F2PRSS1CMA1ACE
SCHEMBL9011943 0.86 F2 (0.51) F2PRSS1CMA1ACE
SCHEMBL8818023 0.86 F2 (0.41) F2PRSS1CMA1ACE

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
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 EP disclosed