SCHEMBL7436675

SCHEMBL7436675

NCC1CCC(C(=O)N[C@@H](Cc2cccc(Oc3ccccc3)c2)C(=O)OCc2cccnc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 15/20 0.50
▸ PRSS1 P07477 4/20 0.48
▸ PRSS2 P07478 4/20 0.48
▸ PRSS3 P35030 4/20 0.48
▸ PLG P00747 4/20 0.48
▸ KLKB1 P03952 5/20 0.46
▸ PLAU P00749 1/20 0.45

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
SCHEMBL7436683 1.00 F11 (0.50) F11PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL7446461 0.84 F11 (0.52) F11PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL7446466 0.84 F11 (0.52) F11PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL7448102 0.84 F11 (0.55) F11PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL7448099 0.84 F11 (0.55) F11PRSS1PRSS2PRSS3PLG
SCHEMBL7440177 0.84 F11 (0.60) F11PRSS1PRSS2PRSS3PLG
SCHEMBL7440172 0.84 F11 (0.60) F11PRSS1PRSS2PRSS3PLG
SCHEMBL7432237 0.82 F11 (0.53) F11PRSS1PRSS2PRSS3PLG
SCHEMBL7432240 0.82 F11 (0.53) F11PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL7435422 0.82 F11 (0.58) F11PRSS1PRSS2PRSS3PLG

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
US-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 — — US claimed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 — — EP claimed
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