SCHEMBL9012124

SCHEMBL9012124

CCCCCC(=O)NC(=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 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.48
▸ ACE2 Q9BYF1 5/20 0.48
▸ F2 P00734 5/20 0.46
▸ PRCP P42785 1/20 0.42
▸ TMPRSS11D O60235 8/20 0.40
▸ F10 P00742 2/20 0.40
▸ PLG P00747 2/20 0.40
▸ CMA1 P23946 1/20 0.39
▸ FKBP1A P62942 2/20 0.38

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
SCHEMBL9012364 0.89 ACE (0.46) ACEACE2F2PRCPTMPRSS11D
SCHEMBL9012556 0.89 ACE (0.46) ACEACE2F2PRCPTMPRSS11D
SCHEMBL9012094 0.89 ACE (0.46) ACEACE2F2PRCPTMPRSS11D
SCHEMBL9012560 0.89 ACE (0.46) ACEACE2F2PRCPTMPRSS11D
SCHEMBL9012022 0.88 ACE (0.45) ACEACE2F2PRCPTMPRSS11D
SCHEMBL9012014 0.88 ACE (0.45) ACEACE2F2PRCPTMPRSS11D
SCHEMBL9086574 0.87 F2 (0.51) ACEF2TMPRSS11DF10PLG
SCHEMBL9012454 0.87 F2 (0.48) ACEACE2F2TMPRSS11DF10
SCHEMBL9012445 0.87 F2 (0.48) ACEACE2F2TMPRSS11DF10
SCHEMBL9012260 0.86 F2 (0.47) ACEACE2F2PRCPTMPRSS11D

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
Send feedback