SCHEMBL8526150

SCHEMBL8526150

N=C(N)c1cccc(C[C@H](C(N)=O)N(Cc2ccc(CC(N)=O)cc2)C(=O)C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.41
PRSS1 P07477 9/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.38
F10 P00742 13/20 0.38
F2 P00734 6/20 0.38
NR1H3 Q13133 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL7058207 0.91 PRSS1 (0.41) PLAUPRSS1PRSS2PRSS3TRPM8
SCHEMBL6900983 0.91 PRSS1 (0.41) PLAUPRSS1PRSS2PRSS3TRPM8
Hydrochloric Acid SCHEMBL8122656 0.90 PRSS1 (0.40) PLAUPRSS1PRSS2PRSS3TRPM8
SCHEMBL1389004 0.88 F10 (0.44) PRSS1PRSS2PRSS3F10F2
SCHEMBL8526765 0.88 F10 (0.45) PRSS1PRSS2PRSS3F10F2
Hydrochloric Acid SCHEMBL8121834 0.87 F10 (0.43) PRSS1PRSS2PRSS3F10F2
SCHEMBL7751908 0.85 PRSS1 (0.39) PLAUPRSS1PRSS2PRSS3TRPM8
Hydrochloric Acid SCHEMBL8119247 0.85 PRSS1 (0.39) PLAUPRSS1PRSS2PRSS3TRPM8
SCHEMBL8528339 0.83 CNR1 (0.40) NR1H3
SCHEMBL1389096 0.83 F10 (0.43) PLAUPRSS1PRSS2PRSS3F10

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