SCHEMBL9075674

SCHEMBL9075674

NN=CN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.51
PRSS1 P07477 5/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
XIAP P98170 2/20 0.40
TMPRSS11D O60235 2/20 0.40
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLAU P00749 1/20 0.38
PLAT P00750 1/20 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
SCHEMBL9076469 0.91 F2 (0.51) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7334169 0.91 F2 (0.53) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL9073832 0.88 F2 (0.54) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7346760 0.88 F2 (0.54) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7337918 0.88 F2 (0.51) F2PRSS1XIAPTMPRSS11DOPRM1
SCHEMBL9075660 0.88 F2 (0.51) F2PRSS1XIAPTMPRSS11D
SCHEMBL7338554 0.87 F2 (0.53) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7341166 0.87 F2 (0.53) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL9075667 0.87 F2 (0.50) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7337494 0.87 F2 (0.53) F2PRSS1PRSS2PRSS3XIAP

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
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed