SCHEMBL7339307

SCHEMBL7339307

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCCN(C(=N)N)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 14/20 0.56
▸ TMPRSS11D O60235 9/20 0.48
▸ F10 P00742 3/20 0.48
▸ PLG P00747 3/20 0.48

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
SCHEMBL7346744 0.92 F2 (0.54) F2TMPRSS11DF10PLG
SCHEMBL9073567 0.89 F2 (0.51) F2TMPRSS11DF10PLG
SCHEMBL7339322 0.86 F2 (0.51) F2TMPRSS11DF10PLG
SCHEMBL7050978 0.86 F2 (0.56) F2
SCHEMBL7047472 0.86 F2 (0.56) F2
SCHEMBL7113614 0.86 F2 (0.56) F2
SCHEMBL7338542 0.85 F2 (0.54) F2TMPRSS11DF10PLG
SCHEMBL7589201 0.85 F2 (0.70) F2
SCHEMBL9086574 0.85 F2 (0.51) F2TMPRSS11DF10PLG
SCHEMBL7341283 0.84 ACE (0.51) F2TMPRSS11DF10PLG

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
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