SCHEMBL9012125

SCHEMBL9012125

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.48
PRSS1 P07477 1/20 0.48
CMA1 P23946 13/20 0.44
ACE P12821 1/20 0.43
TMPRSS11D O60235 1/20 0.43
CTRC Q99895 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
XIAP P98170 1/20 0.41

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
SCHEMBL9012606 1.00 F2 (0.48) F2PRSS1CMA1ACETMPRSS11D
SCHEMBL9012506 0.90 F2 (0.50) F2PRSS1CMA1TMPRSS11DXIAP
SCHEMBL9012510 0.90 F2 (0.50) F2PRSS1CMA1TMPRSS11DXIAP
SCHEMBL8820590 0.89 F2 (0.44) F2PRSS1CMA1ACETMPRSS11D
SCHEMBL9012550 0.89 F2 (0.43) F2PRSS1CMA1ACESMN1; SMN2
SCHEMBL9012540 0.89 F2 (0.43) F2PRSS1CMA1ACESMN1; SMN2
SCHEMBL9012355 0.89 F2 (0.51) F2PRSS1CMA1TMPRSS11DXIAP
SCHEMBL9012346 0.89 F2 (0.51) F2PRSS1CMA1TMPRSS11DXIAP
SCHEMBL8819446 0.89 F2 (0.43) F2PRSS1CMA1ACETMPRSS11D
SCHEMBL8819428 0.89 F2 (0.43) F2PRSS1CMA1ACETMPRSS11D

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