SCHEMBL9012299

SCHEMBL9012299

CCCCCC(=O)N/C(=N\C(=O)CCCCCOC(C)=O)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.42
ACE2 Q9BYF1 5/20 0.42
PRCP P42785 1/20 0.41
F2 P00734 5/20 0.39
CMA1 P23946 1/20 0.36
NMUR2 Q9GZQ4 2/20 0.34
NMUR1 Q9HB89 2/20 0.34
FKBP1A P62942 1/20 0.34
BCHE P06276 3/20 0.34
ACHE P22303 3/20 0.34
PRSS1 P07477 1/20 0.34
TMPRSS11D O60235 1/20 0.34
F10 P00742 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL9012313 1.00 ACE (0.42) ACEACE2PRCPF2CMA1
SCHEMBL9012200 0.98 ACE (0.42) ACEACE2PRCPF2CMA1
SCHEMBL9012210 0.98 ACE (0.42) ACEACE2PRCPF2CMA1
SCHEMBL9012094 0.94 ACE (0.46) ACEACE2PRCPF2CMA1
SCHEMBL9012364 0.94 ACE (0.46) ACEACE2PRCPF2CMA1
SCHEMBL9012616 0.93 ACE (0.42) ACEACE2PRCPF2CMA1
SCHEMBL9012317 0.93 ACE (0.42) ACEACE2PRCPF2CMA1
SCHEMBL9012303 0.93 ACE (0.42) ACEACE2PRCPF2CMA1
SCHEMBL9012610 0.93 ACE (0.42) ACEACE2PRCPF2CMA1
SCHEMBL9012029 0.93 ACE (0.43) ACEACE2PRCPF2CMA1

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