SCHEMBL7350871

SCHEMBL7350871

CC(=O)OC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1CSCC1CCN(C(=N)N)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.62
▸ F10 P00742 1/20 0.48
▸ PLG P00747 1/20 0.48
▸ PLAU P00749 1/20 0.48
▸ ST14 Q9Y5Y6 1/20 0.48

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
SCHEMBL7348750 0.90 F2 (0.76) F2F10PLGPLAUST14
SCHEMBL9074546 0.89 F2 (0.58) F2F10
SCHEMBL7343884 0.88 F2 (0.55) F2F10PLGPLAUST14
SCHEMBL9076387 0.88 F2 (0.55) F2F10PLGPLAUST14
SCHEMBL7343994 0.83 F2 (0.72) F2
SCHEMBL7343761 0.81 F2 (0.61) F2F10PLGST14
SCHEMBL9076608 0.81 F2 (0.61) F2F10PLGST14
SCHEMBL7349925 0.80 F2 (0.76) F2F10PLGPLAUST14
SCHEMBL9075639 0.79 F2 (0.70) F2F10
SCHEMBL9075686 0.77 F2 (1.00) 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 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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