SCHEMBL7420201

SCHEMBL7420201

CCON=Cc1ccc(CCOc2cc(CC)cc(OS(=O)(=O)c3ccccc3Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 20/20 0.53
▸ PRSS2 P07478 4/20 0.46
▸ CTRC Q99895 5/20 0.46
▸ F10 P00742 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
Hydrochloric Acid SCHEMBL7522836 0.99 F2 (0.52) F2PRSS2CTRCF10
Hydrochloric Acid SCHEMBL5866303 0.92 F2 (0.50) F2PRSS2CTRCF10
Hydrochloric Acid SCHEMBL5866300 0.92 F2 (0.50) F2PRSS2CTRCF10
SCHEMBL7429007 0.80 F2 (0.52) F2PRSS2CTRC
SCHEMBL7522874 0.79 F2 (0.75) F2PRSS2CTRCF10
Hydrochloric Acid SCHEMBL5866301 0.79 F2 (0.52) F2PRSS2CTRC
SCHEMBL7428089 0.78 PGR (0.40) F2
SCHEMBL7428082 0.78 PGR (0.40) F2
Hydrochloric Acid SCHEMBL5866088 0.78 PGR (0.39) F2
Hydrochloric Acid SCHEMBL5866086 0.78 PGR (0.39) 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
EP-0917528-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-05-26 — — EP disclosed
WO-1998001422-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-01-15 — — WO disclosed
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