SCHEMBL9012556

SCHEMBL9012556

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.46
▸ ACE2 Q9BYF1 5/20 0.46
▸ F2 P00734 6/20 0.45
▸ PRCP P42785 1/20 0.41
▸ CMA1 P23946 1/20 0.39
▸ PRSS1 P07477 3/20 0.38
▸ PRSS2 P07478 3/20 0.38
▸ PRSS3 P35030 3/20 0.38
▸ TMPRSS11D O60235 2/20 0.37
▸ FKBP1A P62942 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37

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
SCHEMBL9012560 1.00 ACE (0.46) ACEACE2F2PRCPCMA1
SCHEMBL9012364 0.96 ACE (0.46) ACEACE2F2PRCPCMA1
SCHEMBL9012094 0.96 ACE (0.46) ACEACE2F2PRCPCMA1
SCHEMBL9012022 0.95 ACE (0.45) ACEACE2F2PRCPCMA1
SCHEMBL9012014 0.95 ACE (0.45) ACEACE2F2PRCPCMA1
SCHEMBL9012026 0.93 ACE (0.43) ACEACE2F2PRCPCMA1
SCHEMBL9012029 0.93 ACE (0.43) ACEACE2F2PRCPCMA1
SCHEMBL9012505 0.93 ACE (0.43) ACEACE2F2PRCPCMA1
SCHEMBL9012494 0.93 ACE (0.43) ACEACE2F2PRCPCMA1
SCHEMBL9012200 0.92 ACE (0.42) ACEACE2F2PRCPCMA1

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
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