SCHEMBL13071897

SCHEMBL13071897

NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCC/C=C\[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)c1ccccc1)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
ACE P12821 2/20 0.38
OPRM1 P35372 1/20 0.35
F10 P00742 2/20 0.34
PLG P00747 2/20 0.34
ST14 Q9Y5Y6 2/20 0.34
TRHR P34981 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL13071425 0.91 ACE (0.38) F2PRSS1PRSS2PRSS3ACE
SCHEMBL12831720 0.89 ACE (0.37) F2PRSS1PRSS2PRSS3ACE
SCHEMBL12831754 0.85 ACE (0.41) F2ACEF10
SCHEMBL13071524 0.84 HTR1A (0.36) F2PRSS1PRSS2PRSS3ACE
SCHEMBL13071668 0.84 ACE (0.33) F2PRSS1PRSS2PRSS3ACE
SCHEMBL13071436 0.83 ACE (0.33) F2PRSS1PRSS2PRSS3ACE
SCHEMBL13072094 0.83 USP2 (0.34) F2PRSS1PRSS2PRSS3ACE
SCHEMBL13071914 0.82 F2 (0.33) F2PRSS1PRSS2PRSS3ACE
SCHEMBL13071629 0.82 ALDH1A1 (0.36) F2PRSS1PRSS2PRSS3ACE
SCHEMBL13071900 0.82 TACR1 (0.36) F2PRSS1PRSS2PRSS3ACE

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
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed