SCHEMBL9012533

SCHEMBL9012533

CC(C)(C)OC(=O)NN=CN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ ACE P12821 1/20 0.46
▸ CMA1 P23946 14/20 0.46
▸ KLK5 Q9Y337 1/20 0.42

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
SCHEMBL8820671 0.91 F2 (0.43) F2PRSS1ACECMA1
SCHEMBL9086586 0.90 F2 (0.51) F2PRSS1ACECMA1
SCHEMBL9085792 0.88 F2 (0.49) F2PRSS1ACECMA1
SCHEMBL9073832 0.86 F2 (0.54) F2PRSS1ACECMA1
SCHEMBL7346760 0.86 F2 (0.54) F2PRSS1ACECMA1
SCHEMBL9088440 0.85 F2 (0.48) F2PRSS1ACECMA1
SCHEMBL9012606 0.83 F2 (0.48) F2PRSS1ACECMA1
SCHEMBL9012125 0.83 F2 (0.48) F2PRSS1ACECMA1
SCHEMBL9012551 0.83 F2 (0.45) F2PRSS1ACECMA1
SCHEMBL9012544 0.83 F2 (0.45) F2PRSS1ACECMA1

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
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