SCHEMBL7312831

SCHEMBL7312831

NN=CN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 17/20 0.47
▸ PRSS1 P07477 5/20 0.47
▸ CHRM3 P20309 1/20 0.44
▸ TMPRSS11D O60235 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
SCHEMBL7312823 0.86 F2 (0.51) F2PRSS1TMPRSS11D
SCHEMBL7306050 0.84 F2 (0.50) F2PRSS1TMPRSS11D
SCHEMBL7305884 0.84 F2 (0.50) F2PRSS1TMPRSS11D
SCHEMBL7341166 0.84 F2 (0.53) F2PRSS1TMPRSS11D
SCHEMBL7338554 0.79 F2 (0.53) F2PRSS1TMPRSS11D
SCHEMBL9073832 0.78 F2 (0.54) F2PRSS1TMPRSS11D
SCHEMBL7346760 0.78 F2 (0.54) F2PRSS1TMPRSS11D
SCHEMBL7334169 0.77 F2 (0.53) F2PRSS1TMPRSS11D
SCHEMBL7335771 0.77 F2 (0.51) F2PRSS1TMPRSS11D
SCHEMBL7337494 0.76 F2 (0.53) F2PRSS1TMPRSS11D

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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