SCHEMBL8954743

SCHEMBL8954743

CC1(C2CCCN(C(=O)[C@@](N)(Cc3cccc(C(=N)N)c3)S(=O)(=O)c3ccc4ccccc4c3)C2(C(=O)O)C(=O)CNC(=O)CN)CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.40
▸ PLAU P00749 5/20 0.39
▸ PLG P00747 5/20 0.38
▸ PROC P04070 1/20 0.38
▸ F2 P00734 5/20 0.38
▸ ST14 Q9Y5Y6 4/20 0.38
▸ PRSS1 P07477 1/20 0.37
▸ HPN P05981 1/20 0.37
▸ HGFAC Q04756 1/20 0.37

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
SCHEMBL8954706 0.73 F10 (0.52) F10PLAUPLGPROCF2
SCHEMBL8954860 0.71 F10 (0.41) F10PLAUPLGPROCF2
SCHEMBL8954736 0.71 F10 (0.40) F10PLAUPLGPROCF2
Hydrochloric Acid SCHEMBL8954790 0.70 F10 (0.40) F10PLAUPLGPROCF2
Hydrochloric Acid SCHEMBL8954922 0.70 F10 (0.51) F10PLAUPLGPROCF2
Bicarbonate SCHEMBL9665131 0.70 F10 (0.57) F10PLAUPLGF2PRSS1
Hydrochloric Acid SCHEMBL9663503 0.69 F10 (0.41) F10PLAUPLGPROCF2
SCHEMBL8954839 0.68 F10 (0.47) F10PLAUPLGPROCF2
Bicarbonate SCHEMBL9666014 0.68 F10 (0.49) F10PLAUPLGPROCF2
SCHEMBL8955020 0.68 ALDH1A1 (0.38) F10PLAUPLGF2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
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