SCHEMBL7312823

SCHEMBL7312823

N=C(N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.51
PRSS1 P07477 4/20 0.51
F10 P00742 8/20 0.49
TMPRSS11D O60235 7/20 0.47
PLG P00747 4/20 0.47

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
SCHEMBL7312831 0.86 F2 (0.47) F2PRSS1TMPRSS11D
SCHEMBL7305864 0.84 TMPRSS11D (0.54) F2PRSS1F10TMPRSS11DPLG
SCHEMBL7306031 0.84 TMPRSS11D (0.54) F2PRSS1F10TMPRSS11DPLG
SCHEMBL7341151 0.84 TMPRSS11D (0.57) F2PRSS1F10TMPRSS11DPLG
SCHEMBL1147846 0.81 F10 (0.64) F2PRSS1F10
SCHEMBL7338542 0.79 F2 (0.54) F2PRSS1F10TMPRSS11DPLG
SCHEMBL7340890 0.79 F2 (0.60) F2PRSS1F10
SCHEMBL7340878 0.79 F2 (0.60) F2PRSS1F10
SCHEMBL9074210 0.79 F2 (0.47) F2PRSS1F10TMPRSS11DPLG
SCHEMBL9074207 0.78 F2 (0.47) F2PRSS1F10TMPRSS11DPLG

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 4 patents. 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 claimed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP claimed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed