SCHEMBL9012230

SCHEMBL9012230

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.49
CMA1 P23946 6/20 0.47
XIAP P98170 5/20 0.47
TMPRSS11D O60235 1/20 0.45
PRSS1 P07477 3/20 0.44
ELANE P08246 2/20 0.42
CTSG P08311 1/20 0.42

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
SCHEMBL9012243 1.00 F2 (0.49) F2CMA1XIAPTMPRSS11DPRSS1
SCHEMBL9012510 0.93 F2 (0.50) F2CMA1XIAPTMPRSS11DPRSS1
SCHEMBL9012506 0.93 F2 (0.50) F2CMA1XIAPTMPRSS11DPRSS1
SCHEMBL9012138 0.91 F2 (0.51) F2CMA1XIAPTMPRSS11DPRSS1
SCHEMBL9012134 0.91 F2 (0.51) F2CMA1XIAPTMPRSS11DPRSS1
SCHEMBL9012202 0.90 F2 (0.50) F2CMA1XIAPTMPRSS11DPRSS1
SCHEMBL9012275 0.90 F2 (0.50) F2CMA1XIAPTMPRSS11DPRSS1
SCHEMBL9012205 0.90 F2 (0.50) F2CMA1XIAPTMPRSS11DPRSS1
SCHEMBL9012285 0.90 F2 (0.50) F2CMA1XIAPTMPRSS11DPRSS1
SCHEMBL9012355 0.90 F2 (0.51) F2CMA1XIAPTMPRSS11DPRSS1

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