SCHEMBL7447088

SCHEMBL7447088

COCCCNC(=O)[C@H](Cc1cccc(C(=O)c2ccccc2)c1)NC(=O)C1CCC(CN)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 18/20 0.61
▸ PLG P00747 17/20 0.61
▸ PRSS2 P07478 16/20 0.61
▸ PRSS3 P35030 16/20 0.61
▸ PLAU P00749 2/20 0.55
▸ KLKB1 P03952 2/20 0.54
▸ F10 P00742 2/20 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
SCHEMBL7447092 1.00 PRSS1 (0.61) PRSS1PLGPRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL10686531 0.87 PLG (0.60) PRSS1PLGPRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL7439127 0.78 PLG (0.54) PRSS1PLGPRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL7439124 0.78 PLG (0.54) PRSS1PLGPRSS2PRSS3PLAU
SCHEMBL7432237 0.74 F11 (0.53) PRSS1PLGPRSS2PRSS3PLAU
SCHEMBL7432240 0.74 F11 (0.53) PRSS1PLGPRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL10425156 0.73 KLKB1 (0.72) PRSS1PLGPRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL10425157 0.73 KLKB1 (0.72) PRSS1PLGPRSS2PRSS3PLAU
SCHEMBL29679140 0.72 FOLH1 (0.60) PRSS1PLGPRSS2PRSS3PLAU
SCHEMBL7440172 0.70 F11 (0.60) PRSS1PLGPRSS2PRSS3PLAU

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
Send feedback