SCHEMBL7440589

SCHEMBL7440589

NCC1CCC(C(=O)N[C@@H](Cc2cccc(Oc3ccccc3)c2)C(=O)Nc2ccncc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 3/20 0.63
▸ PRSS2 P07478 3/20 0.63
▸ PRSS3 P35030 3/20 0.63
▸ KLKB1 P03952 2/20 0.63
▸ PLG P00747 7/20 0.62
▸ PLAU P00749 2/20 0.62
▸ F11 P03951 7/20 0.57
▸ S1PR1 P21453 1/20 0.55
▸ LMNA P02545 1/20 0.54
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL7440593 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7434371 0.99 PRSS1 (0.62) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7434363 0.99 PRSS1 (0.62) PRSS1PRSS2PRSS3KLKB1PLG
SCHEMBL7441164 0.89 PRSS1 (0.56) PRSS1PRSS2PRSS3KLKB1PLG
SCHEMBL7441171 0.89 PRSS1 (0.56) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7445118 0.88 PRSS1 (0.52) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7446466 0.86 F11 (0.52) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7446461 0.86 F11 (0.52) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7448103 0.85 PRSS1 (0.62) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7448111 0.85 PRSS1 (0.62) 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 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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