SCHEMBL9075649

SCHEMBL9075649

N=C(N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.52
F10 P00742 6/20 0.50
ST14 Q9Y5Y6 5/20 0.50
PLG P00747 5/20 0.50
PLAU P00749 4/20 0.50
TMPRSS11D O60235 5/20 0.47
HPN P05981 1/20 0.46
HGFAC Q04756 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
SCHEMBL7334157 0.95 F2 (0.53) F2F10ST14PLGPLAU
SCHEMBL9076041 0.92 F2 (0.52) F2F10ST14PLGPLAU
SCHEMBL9075667 0.88 F2 (0.50) F2F10ST14PLGPLAU
SCHEMBL7346744 0.87 F2 (0.54) F2F10PLGTMPRSS11D
SCHEMBL7338542 0.87 F2 (0.54) F2F10PLGTMPRSS11D
SCHEMBL9075660 0.87 F2 (0.51) F2F10PLGTMPRSS11D
SCHEMBL9076463 0.87 F2 (0.51) F2F10TMPRSS11D
SCHEMBL7341151 0.87 TMPRSS11D (0.57) F2F10PLGTMPRSS11D
SCHEMBL7337478 0.86 F2 (0.53) F2F10PLGTMPRSS11D
SCHEMBL9073514 0.86 F2 (0.50) F2F10ST14PLGPLAU

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