SCHEMBL9076463

SCHEMBL9076463

Cc1c(C)c(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCC2CCN(C(=N)N)CC2)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 12/20 0.51
▸ TMPRSS11D O60235 5/20 0.45
▸ PRSS1 P07477 3/20 0.44
▸ PRSS2 P07478 2/20 0.44
▸ PRSS3 P35030 2/20 0.44
▸ F10 P00742 2/20 0.44

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
SCHEMBL9075660 0.91 F2 (0.51) F2TMPRSS11DPRSS1F10
SCHEMBL7334157 0.91 F2 (0.53) F2PRSS1PRSS2PRSS3F10
SCHEMBL7338542 0.90 F2 (0.54) F2TMPRSS11DPRSS1F10
SCHEMBL7346744 0.90 F2 (0.54) F2TMPRSS11DPRSS1F10
SCHEMBL7337478 0.88 F2 (0.53) F2TMPRSS11DPRSS1F10
SCHEMBL9076469 0.88 F2 (0.51) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL7335753 0.88 F2 (0.52) F2TMPRSS11DPRSS1F10
SCHEMBL7341151 0.87 TMPRSS11D (0.57) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9073567 0.87 F2 (0.51) F2TMPRSS11DPRSS1F10
SCHEMBL9075649 0.87 F2 (0.52) F2TMPRSS11DF10

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
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