Sugi Predict

Sugi Predict / Compounds / SCHEMBL9012445

SCHEMBL9012445

SCHEMBL9012445

CCCCCC(=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 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 8/20 0.48
▸ ACE P12821 4/20 0.45
▸ ACE2 Q9BYF1 4/20 0.45
▸ TMPRSS11D O60235 8/20 0.42
▸ F10 P00742 2/20 0.41
▸ PLG P00747 2/20 0.41
▸ PRSS1 P07477 3/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ CMA1 P23946 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
SCHEMBL9012454 1.00 F2 (0.48) F2ACEACE2TMPRSS11DF10
SCHEMBL9012260 0.99 F2 (0.47) F2ACEACE2TMPRSS11DF10
SCHEMBL9012244 0.99 F2 (0.47) F2ACEACE2TMPRSS11DF10
SCHEMBL9012191 0.99 F2 (0.47) F2ACEACE2TMPRSS11DF10
SCHEMBL9012194 0.99 F2 (0.47) F2ACEACE2TMPRSS11DF10
SCHEMBL9012174 0.94 F2 (0.43) F2ACEACE2TMPRSS11DF10
SCHEMBL9012169 0.94 F2 (0.43) F2ACEACE2TMPRSS11DF10
SCHEMBL9012541 0.94 F2 (0.48) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012530 0.94 F2 (0.48) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012355 0.93 F2 (0.51) F2TMPRSS11DF10PLGPRSS1

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 claimed