SCHEMBL9710477

SCHEMBL9710477

CC1CCN(C(=O)[C@H](Cc2ccc(C(=N)N)cc2)NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(C(=O)O)C1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 6/20 0.62
▸ F2 P00734 8/20 0.56
▸ PLAU P00749 1/20 0.49
▸ PRSS1 P07477 1/20 0.47

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
SCHEMBL9710485 0.83 F10 (0.53) F10F2PLAUPRSS1
SCHEMBL9710871 0.81 F10 (0.69) F10F2PLAU
SCHEMBL29651383 0.81 PLG (0.67) F10F2PLAUPRSS1
SCHEMBL29514928 0.81 PLG (0.67) F10F2PLAUPRSS1
SCHEMBL872422 0.81 PLG (0.67) F10F2PLAUPRSS1
SCHEMBL9189122 0.81 PLG (0.67) F10F2PLAUPRSS1
SCHEMBL8144360 0.81 PLG (0.67) F10F2PLAUPRSS1
SCHEMBL3419341 0.80 F2 (0.60) F10F2PLAU
SCHEMBL3057528 0.80 F2 (0.60) F10F2PLAU
SCHEMBL8954942 0.77 F10 (0.69) F10F2PLAU

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
WO-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 — — WO disclosed
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