SCHEMBL9073567

SCHEMBL9073567

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCCC1C(=O)NCC1CCN(C(=N)N)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.51
▸ PRSS1 P07477 2/20 0.48
▸ F10 P00742 5/20 0.45
▸ TMPRSS11D O60235 9/20 0.45
▸ PLG P00747 2/20 0.43

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 0.97 F2 (0.54) F2PRSS1F10TMPRSS11DPLG
SCHEMBL7338542 0.91 F2 (0.54) F2PRSS1F10TMPRSS11DPLG
SCHEMBL9012355 0.90 F2 (0.51) F2PRSS1F10TMPRSS11DPLG
SCHEMBL9012346 0.90 F2 (0.51) F2PRSS1F10TMPRSS11DPLG
SCHEMBL7339307 0.89 F2 (0.56) F2F10TMPRSS11DPLG
SCHEMBL7337478 0.89 F2 (0.53) F2PRSS1F10TMPRSS11DPLG
SCHEMBL7335753 0.89 F2 (0.52) F2PRSS1F10TMPRSS11DPLG
SCHEMBL9086574 0.89 F2 (0.51) F2F10TMPRSS11DPLG
SCHEMBL7341151 0.89 TMPRSS11D (0.57) F2PRSS1F10TMPRSS11DPLG
SCHEMBL7334157 0.89 F2 (0.53) F2PRSS1F10PLG

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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