SCHEMBL6450458

SCHEMBL6450458

CC(=O)c1ccc(NOC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCC(CN)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 6/20 0.75
▸ PLG P00747 4/20 0.75
▸ PLAU P00749 1/20 0.75
▸ PRSS1 P07477 2/20 0.57
▸ PRSS2 P07478 2/20 0.57
▸ PRSS3 P35030 2/20 0.57
▸ F11 P03951 13/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7443939 0.93 PLG (0.65) KLKB1PLGPLAUPRSS1PRSS2
SCHEMBL7447019 0.92 PLG (0.62) KLKB1PLGPLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7266456 0.91 KLKB1 (0.61) KLKB1PLGPLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7267028 0.90 KLKB1 (0.61) KLKB1PLGPLAUPRSS1PRSS2
SCHEMBL10421058 0.90 PLG (0.61) KLKB1PLGPLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL10421061 0.87 PLG (0.57) KLKB1PLGPLAUPRSS1PRSS2
SCHEMBL10420463 0.85 PLG (0.55) KLKB1PLGPLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7442389 0.83 PLG (0.53) KLKB1PLGPLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7449011 0.83 PLG (0.53) KLKB1PLGPLAUPRSS1PRSS2
SCHEMBL5961152 0.82 KLKB1 (0.74) KLKB1PLGPLAUPRSS1PRSS2

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
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