SCHEMBL8954624

SCHEMBL8954624

CC1C(C(=O)O)CCCN1C(=O)[C@@](N)(Cc1cccc(NC(=N)N)c1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.41
▸ PLAU P00749 3/20 0.40
▸ F2 P00734 6/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ PLG P00747 2/20 0.37
▸ ST14 Q9Y5Y6 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 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
SCHEMBL8954656 0.88 AKR1C3 (0.39) F10PLAUF2PRSS1HCRTR1
SCHEMBL8954875 0.87 F10 (0.44) F10PLAUF2PRSS1PLG
SCHEMBL8954679 0.86 F10 (0.43) F10PLAUF2PRSS1PLG
SCHEMBL8955038 0.85 F10 (0.47) F10PLAUF2PRSS1PLG
SCHEMBL8954856 0.83 F10 (0.50) F10PLAUF2PRSS1PLG
SCHEMBL8954645 0.81 F10 (0.40) F10PLAUF2PRSS1PLG
SCHEMBL9666086 0.80 F10 (0.42) F10PLAUF2PLGST14
SCHEMBL8954584 0.78 F10 (0.39) F10PLAUF2PRSS1PLG
SCHEMBL8954706 0.78 F10 (0.52) F10PLAUF2PLGST14
SCHEMBL9665510 0.77 F10 (0.38) F10PLAUF2PLGST14

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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