SCHEMBL9710610

SCHEMBL9710610

N=C(N)c1ccc(C[C@H](NC(=O)[C@@](N)(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.57
▸ PLG P00747 5/20 0.57
▸ PLAU P00749 1/20 0.57
▸ F2 P00734 2/20 0.51
▸ PRSS1 P07477 2/20 0.51

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
Hydrochloric Acid SCHEMBL9710860 0.99 F10 (0.56) F10PLGPLAUF2PRSS1
Hydrochloric Acid SCHEMBL9710621 0.87 CA2 (0.51) F10PLGPLAUF2PRSS1
SCHEMBL9710680 0.86 F10 (0.51) F10PLGPLAUF2PRSS1
Hydrochloric Acid SCHEMBL9710624 0.84 F2 (0.47) F10PLGPLAUF2PRSS1
SCHEMBL7439785 0.81 PLG (0.83) F10PLGPLAU
SCHEMBL8144360 0.81 PLG (0.67) F10PLGPLAUF2PRSS1
SCHEMBL9189122 0.81 PLG (0.67) F10PLGPLAUF2PRSS1
SCHEMBL872422 0.81 PLG (0.67) F10PLGPLAUF2PRSS1
SCHEMBL29651383 0.81 PLG (0.67) F10PLGPLAUF2PRSS1
SCHEMBL29514928 0.81 PLG (0.67) F10PLGPLAUF2PRSS1

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
Send feedback