SCHEMBL7434196

SCHEMBL7434196

NC[C@H]1CC[C@H](C(=O)NC(Cc2cccc(Oc3cccc(Cl)c3[N+](=O)[O-])c2)C(=O)Nc2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 5/20 0.49
▸ PRSS2 P07478 5/20 0.49
▸ PRSS3 P35030 5/20 0.49
▸ KLKB1 P03952 3/20 0.49
▸ PLG P00747 10/20 0.49
▸ PLAU P00749 2/20 0.49
▸ F11 P03951 5/20 0.46
▸ LMNA P02545 1/20 0.45
▸ S1PR1 P21453 1/20 0.40

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 SCHEMBL7430320 0.88 PRSS1 (0.48) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7430308 0.88 PRSS1 (0.48) PRSS1PRSS2PRSS3KLKB1PLG
SCHEMBL7440589 0.84 PRSS1 (0.63) PRSS1PRSS2PRSS3KLKB1PLG
SCHEMBL7440593 0.84 PRSS1 (0.63) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7434363 0.84 PRSS1 (0.62) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7434371 0.84 PRSS1 (0.62) PRSS1PRSS2PRSS3KLKB1PLG
SCHEMBL10420943 0.81 PRSS1 (0.49) PRSS1PRSS2PRSS3KLKB1PLG
SCHEMBL7365350 0.81 PRSS1 (0.49) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL10419784 0.81 PRSS1 (0.49) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL10419782 0.81 PRSS1 (0.49) PRSS1PRSS2PRSS3KLKB1PLG

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 1 patent. 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
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