SCHEMBL8954860

SCHEMBL8954860

CC1(N(CC(=O)O)C(=O)CNC(=O)[C@@](N)(Cc2cccc(C(=N)N)c2)S(=O)(=O)c2ccc3ccccc3c2)CCCCN1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 11/20 0.41
▸ F2 P00734 3/20 0.41
▸ PRSS1 P07477 2/20 0.39
▸ PLG P00747 9/20 0.38
▸ PLAU P00749 2/20 0.38
▸ HPN P05981 2/20 0.37
▸ F12 P00748 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ PROC P04070 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
SCHEMBL8954736 0.90 F10 (0.40) F10F2PRSS1PLGPLAU
Hydrochloric Acid SCHEMBL8954790 0.89 F10 (0.40) F10F2PRSS1PLGPLAU
Hydrochloric Acid SCHEMBL9663503 0.84 F10 (0.41) F10F2PRSS1PLGPLAU
Iodide SCHEMBL8954824 0.81 F10 (0.38) F10F2PRSS1PLGPLAU
SCHEMBL8954844 0.74 F10 (0.50) F10F2PRSS1PLGPLAU
Bicarbonate SCHEMBL9666014 0.74 F10 (0.49) F10F2PRSS1PLGPLAU
SCHEMBL8954943 0.73 F10 (0.49) F10F2PLGPLAUHPN
SCHEMBL8954806 0.71 F10 (0.52) F10F2PRSS1PLGPLAU
SCHEMBL8954743 0.71 F10 (0.40) F10F2PRSS1PLGPLAU
SCHEMBL8954791 0.70 ABCB1 (0.34) —

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
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
Send feedback