SCHEMBL7348819

SCHEMBL7348819

N=C(N)NCCCCS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.65
▸ F10 P00742 1/20 0.47

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
SCHEMBL7343544 0.89 F2 (0.62) F2F10
SCHEMBL9075794 0.88 F2 (0.60) F2
SCHEMBL9076756 0.87 F2 (0.79) F2
SCHEMBL7342883 0.87 F2 (0.77) F2F10
SCHEMBL9076384 0.87 F2 (0.79) F2
SCHEMBL9076745 0.87 F2 (0.79) F2
SCHEMBL9075882 0.86 F2 (0.78) F2
SCHEMBL13061804 0.86 F2 (0.78) F2
SCHEMBL7342705 0.86 F2 (0.77) F2F10
SCHEMBL7335469 0.86 F2 (0.66) F2F10

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 2 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 disclosed
EP-0623595-A1 Guanidinyl- or amidinyl-substituted heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-09 — — EP disclosed
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