SCHEMBL6823609

SCHEMBL6823609

CC(=O)NCc1ccc(CN(NS(=O)(=O)c2cccc3ccccc23)C(=O)N2CCC(C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.53
PRSS1 P07477 8/20 0.53
F10 P00742 6/20 0.53
PLAU P00749 1/20 0.46
CCR10 P46092 1/20 0.43
HTR7 P34969 2/20 0.42
NSD2 O96028 1/20 0.41

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 SCHEMBL6825808 0.89 F2 (0.56) F2PRSS1F10PLAUCCR10
SCHEMBL6823012 0.77 NPSR1 (0.42) F2PRSS1F10
SCHEMBL6823459 0.77 NPSR1 (0.44) F2PRSS1
Hydrochloric Acid SCHEMBL6823840 0.76 F2 (0.49) F2PRSS1F10
Hydrochloric Acid SCHEMBL6823011 0.72 NPSR1 (0.43) F2PRSS1
SCHEMBL14289385 0.69 F2 (1.00) F2PRSS1F10PLAU
SCHEMBL5109231 0.68 F2 (0.83) F2PRSS1F10PLAU
Hydrochloric Acid SCHEMBL5103964 0.68 F2 (0.98) F2PRSS1F10PLAU
SCHEMBL5103963 0.68 F2 (0.73) F2PRSS1F10
SCHEMBL1337015 0.67 F10 (0.68) F2F10PLAUCCR10

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-2004067522-A1 AZAPHENYLALANINE DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS LEK PHARMACEUTICALS D.D. (SI) 2004-08-12 WO disclosed