SCHEMBL8527152

SCHEMBL8527152

CCOC(=O)CNC(=O)NCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](Cc2cccc(C(=N)N)c2)C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPID Q08752 6/20 0.48
PPIB P23284 2/20 0.45
PPIG Q13427 2/20 0.45
PPIA P62937 1/20 0.45
F10 P00742 10/20 0.44
F2 P00734 7/20 0.41
PRSS1 P07477 4/20 0.41
NPY1R P25929 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
TMPRSS6 Q8IU80 2/20 0.38

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
Hydrochloric Acid SCHEMBL8641408 0.99 PPID (0.48) PPIDPPIBPPIGPPIAF10
SCHEMBL8526765 0.85 F10 (0.45) F10F2PRSS1TMPRSS6
SCHEMBL1389096 0.84 F10 (0.43) F10F2PRSS1
SCHEMBL7123147 0.82 PPID (0.48) PPIDPPIBPPIGPPIAF2
SCHEMBL6895115 0.82 PPID (0.48) PPIDPPIBPPIGPPIAF2
SCHEMBL1389004 0.80 F10 (0.44) F10F2PRSS1
SCHEMBL7058207 0.80 PRSS1 (0.41) F10F2PRSS1
SCHEMBL6900983 0.80 PRSS1 (0.41) F10F2PRSS1
Hydrochloric Acid SCHEMBL8121834 0.80 F10 (0.43) F10F2PRSS1
SCHEMBL8525704 0.80 F10 (0.44) F10F2PRSS1

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
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed