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Sugi Predict / Compounds / SCHEMBL8339478

SCHEMBL8339478

SCHEMBL8339478

CC(C)(C)OC(=O)C[C@H](NC1CCC=CCC1)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 16/20 0.49
▸ F2 P00734 15/20 0.49

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
SCHEMBL8340107 0.96 PRSS1 (0.45) PRSS1F2
SCHEMBL8345820 0.95 PRSS1 (0.54) PRSS1F2
SCHEMBL8345545 0.94 PRSS1 (0.55) PRSS1F2
SCHEMBL8345139 0.94 PRSS1 (0.55) PRSS1F2
SCHEMBL8340036 0.94 PRSS1 (0.55) PRSS1F2
SCHEMBL8342304 0.94 PRSS1 (0.55) PRSS1F2
SCHEMBL8339855 0.94 PRSS1 (0.55) PRSS1F2
SCHEMBL8346133 0.90 PRSS1 (0.42) PRSS1F2
SCHEMBL8345424 0.89 PRSS1 (0.49) PRSS1F2
SCHEMBL8341977 0.88 PRSS1 (0.57) PRSS1F2

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-5917034-A Antithrombotic n-amidinopiperidine and benzamidine derivatives PFIZER INC. (US) 1999-06-29 — — US disclosed