SCHEMBL8955038

SCHEMBL8955038

CC1CCN(C(=O)[C@@](N)(Cc2cccc(NC(=N)N)c2)S(=O)(=O)c2ccc3ccccc3c2)C(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.47
▸ F2 P00734 8/20 0.44
▸ PRSS1 P07477 1/20 0.41
▸ PLAU P00749 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ PLG P00747 1/20 0.37
▸ ST14 Q9Y5Y6 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
SCHEMBL8954875 0.89 F10 (0.44) F10F2PRSS1PLAUPLG
SCHEMBL9710875 0.88 F10 (0.46) F10F2PRSS1
SCHEMBL8954946 0.88 F10 (0.45) F10F2PRSS1PLAU
SCHEMBL8954624 0.85 F10 (0.41) F10F2PRSS1PLAUPLG
SCHEMBL8954645 0.84 F10 (0.40) F10F2PRSS1PLAUPLG
SCHEMBL8954679 0.83 F10 (0.43) F10F2PRSS1PLAUPLG
SCHEMBL8954856 0.83 F10 (0.50) F10F2PRSS1PLAUPLG
SCHEMBL9666086 0.80 F10 (0.42) F10F2PLAUPLGST14
SCHEMBL8954756 0.78 F10 (0.38) F10F2PLAUPLGST14
SCHEMBL8954706 0.78 F10 (0.52) F10F2PLAUPLGST14

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
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 — — EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
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