SCHEMBL10420943

SCHEMBL10420943

NCC1CCC(C(=O)N[C@@H](Cc2ccc(Oc3cc(Cl)ccc3[N+](=O)[O-])cc2)C(=O)Nc2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 11/20 0.49
▸ PRSS2 P07478 11/20 0.49
▸ PRSS3 P35030 11/20 0.49
▸ KLKB1 P03952 3/20 0.49
▸ PLG P00747 17/20 0.47
▸ PLAU P00749 3/20 0.47
▸ F11 P03951 4/20 0.44

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
SCHEMBL7365350 1.00 PRSS1 (0.49) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL10419782 0.99 PRSS1 (0.49) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL10419784 0.99 PRSS1 (0.49) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7430320 0.92 PRSS1 (0.48) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7430308 0.92 PRSS1 (0.48) PRSS1PRSS2PRSS3KLKB1PLG
SCHEMBL7403085 0.87 ATM (0.43) PRSS1PRSS2PRSS3PLGPLAU
SCHEMBL7403089 0.87 ATM (0.43) PRSS1PRSS2PRSS3PLGPLAU
SCHEMBL7434196 0.81 PRSS1 (0.49) PRSS1PRSS2PRSS3KLKB1PLG
Hydrochloric Acid SCHEMBL7365367 0.80 BCL2 (0.49) —
Dalfampridine SCHEMBL10421059 0.77 KMT2A (0.48) PRSS1PRSS2PRSS3PLGPLAU

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-4895842-A Phenylalanine derivative and proteinase inhibitor SHOSUKE OKAMOTO (JP) 1990-01-23 — — US disclosed
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