Argatroban

Argatroban

SCHEMBL7279618

C[C@@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1.O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

F2

The experimentally established mechanism targets of Argatroban. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 known ✓ P00734 7/20 0.82
▸ PRSS1 P07477 2/20 0.77
▸ F10 P00742 2/20 0.77
▸ LMNA P02545 1/20 0.77
▸ PLAT P00750 1/20 0.77
▸ PRSS2 P07478 1/20 0.77
▸ PRSS3 P35030 1/20 0.77

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
Argatroban SCHEMBL23356536 1.00 F2 (0.82) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL1133728 1.00 F2 (0.82) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL29501077 1.00 F2 (0.82) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL1470919 1.00 F2 (0.82) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL3447908 1.00 F2 (0.82) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL4374 0.99 F2 (0.83) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL1817517 0.99 F2 (0.83) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL4933701 0.99 F2 (0.83) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL3175687 0.99 F2 (0.83) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL1145308 0.99 F2 (0.83) F2PRSS1F10LMNAPLAT

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
EP-0621036-A1 Aqueous compositions comprising argatroban and cyclodextrin or caffeine Senju Pharmaceutical Co., Ltd. (JP) 1994-10-26 — — EP disclosed
EP-0565897-A1 Argatroban preparations for ophthalmic use Mitsubishi Chemical Corporation (JP) 1993-10-20 — — EP disclosed
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