SCHEMBL9012197

SCHEMBL9012197

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.49
TMPRSS11D O60235 7/20 0.45
CMA1 P23946 1/20 0.44
XIAP P98170 2/20 0.42
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
OPRM1 P35372 1/20 0.41
DPP3 Q9NY33 1/20 0.41
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40

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
SCHEMBL9012189 1.00 F2 (0.49) F2TMPRSS11DCMA1XIAPPRSS1
SCHEMBL9012138 0.93 F2 (0.51) F2TMPRSS11DCMA1XIAPPRSS1
SCHEMBL9012134 0.93 F2 (0.51) F2TMPRSS11DCMA1XIAPPRSS1
SCHEMBL9012285 0.93 F2 (0.50) F2TMPRSS11DCMA1XIAPPRSS1
SCHEMBL9012275 0.93 F2 (0.50) F2TMPRSS11DCMA1XIAPPRSS1
SCHEMBL9012202 0.93 F2 (0.50) F2TMPRSS11DCMA1XIAPPRSS1
SCHEMBL9012205 0.93 F2 (0.50) F2TMPRSS11DCMA1XIAPPRSS1
SCHEMBL9012077 0.90 F2 (0.49) F2TMPRSS11DCMA1XIAPPRSS1
SCHEMBL9012083 0.90 F2 (0.49) F2TMPRSS11DCMA1XIAPPRSS1
SCHEMBL9012279 0.90 F2 (0.53) F2TMPRSS11DCMA1XIAPPRSS1

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