SCHEMBL9012540

SCHEMBL9012540

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
PRSS1 P07477 1/20 0.42
CMA1 P23946 13/20 0.42
ACE P12821 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9012550 1.00 F2 (0.43) F2PRSS1CMA1ACESMN1; SMN2
SCHEMBL9012460 0.93 ACE (0.43) F2PRSS1CMA1ACE
SCHEMBL9012457 0.93 ACE (0.43) F2PRSS1CMA1ACE
SCHEMBL9012606 0.89 F2 (0.48) F2PRSS1CMA1ACESMN1; SMN2
SCHEMBL9012125 0.89 F2 (0.48) F2PRSS1CMA1ACESMN1; SMN2
SCHEMBL9012544 0.87 F2 (0.45) F2PRSS1CMA1ACE
SCHEMBL9012551 0.87 F2 (0.45) F2PRSS1CMA1ACE
SCHEMBL8818023 0.86 F2 (0.41) F2PRSS1CMA1ACE
SCHEMBL8818014 0.86 F2 (0.41) F2PRSS1CMA1ACE
SCHEMBL8820439 0.85 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