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SCHEMBL9012352

SCHEMBL9012352

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(/C(=N\C(=O)CCCOC(=O)c2ccccc2)NC(=O)CCCOC(=O)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.41
▸ CMA1 P23946 1/20 0.39
▸ ACE P12821 11/20 0.37
▸ ACE2 Q9BYF1 8/20 0.37
▸ TMPRSS11D O60235 4/20 0.36
▸ F10 P00742 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PRCP P42785 1/20 0.35
▸ PRSS1 P07477 1/20 0.35

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
SCHEMBL9012358 1.00 F2 (0.41) F2CMA1ACEACE2TMPRSS11D
SCHEMBL9012053 0.93 F2 (0.41) F2CMA1ACEACE2TMPRSS11D
SCHEMBL9012046 0.93 F2 (0.41) F2CMA1ACEACE2TMPRSS11D
SCHEMBL9012366 0.92 F2 (0.40) F2CMA1ACEACE2PRCP
SCHEMBL9012354 0.92 F2 (0.40) F2CMA1ACEACE2PRCP
SCHEMBL9012256 0.91 F2 (0.44) F2CMA1ACEACE2TMPRSS11D
SCHEMBL9012271 0.91 F2 (0.44) F2CMA1ACEACE2TMPRSS11D
SCHEMBL9012616 0.91 ACE (0.42) F2CMA1ACEACE2TMPRSS11D
SCHEMBL9012233 0.91 F2 (0.40) F2CMA1ACEACE2TMPRSS11D
SCHEMBL9012200 0.91 ACE (0.42) F2CMA1ACEACE2TMPRSS11D

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