SCHEMBL7334157

SCHEMBL7334157

N=C(N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.53
ST14 Q9Y5Y6 7/20 0.49
F10 P00742 6/20 0.49
PLG P00747 6/20 0.49
PLAU P00749 5/20 0.49
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL9075649 0.95 F2 (0.52) F2ST14F10PLGPLAU
SCHEMBL9076041 0.93 F2 (0.52) F2ST14F10PLGPLAU
SCHEMBL7346744 0.91 F2 (0.54) F2F10PLGPRSS1
SCHEMBL7338542 0.91 F2 (0.54) F2F10PLGPRSS1
SCHEMBL9073514 0.91 F2 (0.50) F2ST14F10PLGPLAU
SCHEMBL9076463 0.91 F2 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL9075660 0.91 F2 (0.51) F2F10PLGPRSS1
SCHEMBL7341151 0.90 TMPRSS11D (0.57) F2F10PLGPRSS1PRSS2
SCHEMBL7337478 0.89 F2 (0.53) F2F10PLGPRSS1
SCHEMBL7335753 0.89 F2 (0.52) F2F10PLGPRSS1

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