SCHEMBL7342883

SCHEMBL7342883

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

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 18/20 0.77
▸ F10 P00742 2/20 0.49

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
SCHEMBL7342705 0.98 F2 (0.77) F2F10
SCHEMBL7339989 0.89 F2 (0.81) F2F10
SCHEMBL9074186 0.89 F2 (0.81) F2F10
SCHEMBL9073910 0.88 F2 (0.77) F2F10
SCHEMBL7348819 0.87 F2 (0.65) F2F10
SCHEMBL9076756 0.87 F2 (0.79) F2
SCHEMBL7343541 0.87 F2 (0.67) F2F10
SCHEMBL7349871 0.87 F2 (0.58) F2F10
SCHEMBL9076384 0.86 F2 (0.79) F2
SCHEMBL9076745 0.86 F2 (0.79) F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

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