SCHEMBL9012310

SCHEMBL9012310

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.55
CHRM3 P20309 5/20 0.52
CHRM2 P08172 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
TMPRSS11D O60235 2/20 0.47
BDKRB2 P30411 1/20 0.47
BDKRB1 P46663 1/20 0.47
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CMA1 P23946 1/20 0.45
ACE P12821 6/20 0.43
ACE2 Q9BYF1 4/20 0.43
PRSS1 P07477 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL9012341 0.96 CHRM3 (0.57) F2CHRM3CHRM2CHRM4CHRM1
SCHEMBL9087480 0.90 TMPRSS11D (0.57) F2CHRM3CHRM2CHRM4CHRM1
SCHEMBL7589201 0.89 F2 (0.70) F2PRSS1
SCHEMBL9073832 0.86 F2 (0.54) F2TMPRSS11DCMA1ACEPRSS1
SCHEMBL7346744 0.86 F2 (0.54) F2TMPRSS11DF10PLGPRSS1
SCHEMBL7346760 0.86 F2 (0.54) F2TMPRSS11DCMA1ACEPRSS1
SCHEMBL9086574 0.85 F2 (0.51) F2TMPRSS11DF10PLGCMA1
SCHEMBL9086586 0.85 F2 (0.51) F2CMA1ACEACE2PRSS1
SCHEMBL7339322 0.84 F2 (0.51) F2TMPRSS11DF10PLGCMA1
SCHEMBL9073567 0.84 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 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 disclosed
US-5561146-A Modified guanidino and amidino thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-01 US disclosed