SCHEMBL6450462

SCHEMBL6450462

CC(=O)c1ccc(N)cc1.NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.74
PLG P00747 3/20 0.74
PLAU P00749 1/20 0.74
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
F11 P03951 13/20 0.54
ATM Q13315 1/20 0.49

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
SCHEMBL5961152 1.00 KLKB1 (0.74) KLKB1PLGPLAULMNATDP1
SCHEMBL7447026 0.92 PLG (0.63) KLKB1PLGPLAULMNATDP1
SCHEMBL7447008 0.92 PLG (0.63) KLKB1PLGPLAULMNATDP1
Aminobenzoic Acid SCHEMBL7267215 0.92 KLKB1 (0.62) KLKB1PLGPLAULMNATDP1
SCHEMBL7443945 0.91 PLG (0.63) KLKB1PLGPLAUPRSS1PRSS2
SCHEMBL7443929 0.91 PLG (0.63) KLKB1PLGPLAUPRSS1PRSS2
SCHEMBL7540234 0.90 PLG (0.61) KLKB1PLGPLAULMNATDP1
SCHEMBL7540226 0.90 PLG (0.61) KLKB1PLGPLAULMNATDP1
Hydrochloric Acid SCHEMBL7268849 0.90 KLKB1 (0.60) KLKB1PLGPLAULMNATDP1
Hydrochloric Acid SCHEMBL7266461 0.90 KLKB1 (0.60) KLKB1PLGPLAULMNATDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63022061-A None JP disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP disclosed
US-4895842-A Phenylalanine derivative and proteinase inhibitor SHOSUKE OKAMOTO (JP) 1990-01-23 US disclosed
JP-S6322061-A PHENYLALANINE DERIVATIVE AND PROTEASE INHIBITOR SHOWA DENKO KK 1988-01-29 JP disclosed