SCHEMBL9012469

SCHEMBL9012469

CC(CC(C)(C)C(=O)N=CC1CC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CCN1N)OC(=O)OC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.37
CMA1 P23946 9/20 0.36
PRSS1 P07477 5/20 0.36
XIAP P98170 4/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33

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
SCHEMBL9012444 1.00 F2 (0.37) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012396 0.93 F2 (0.37) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012402 0.93 F2 (0.37) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012387 0.93 F2 (0.39) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012394 0.93 F2 (0.39) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012232 0.92 F2 (0.38) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012093 0.92 F2 (0.38) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012241 0.92 F2 (0.38) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012086 0.92 F2 (0.38) F2CMA1PRSS1XIAPPRSS2
SCHEMBL9012464 0.86 F2 (0.41) F2CMA1PRSS1XIAPPRSS2

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