SCHEMBL6165039

SCHEMBL6165039

CC(=O)N[C@@H](Cc1cccc(C(=N)N)c1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.50
PRSS1 P07477 9/20 0.50
F2 P00734 3/20 0.50
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
HPGDS O60760 1/20 0.48
PLG P00747 2/20 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
Trifluoroacetic Acid SCHEMBL6161743 0.92 F2 (0.50) F10PRSS1F2HPGDSPLG
SCHEMBL15893668 0.80 PRSS1 (0.55) F10PRSS1F2PRSS2PRSS3
SCHEMBL15810860 0.79 CTSS (0.61) HPGDS
SCHEMBL6248471 0.79 CTSS (0.61) HPGDS
SCHEMBL15810862 0.79 CTSS (0.61) HPGDS
Hydrochloric Acid SCHEMBL5274210 0.78 PRSS1 (0.54) F10PRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL5672707 0.76 SLC7A5 (0.58) F10PRSS1F2PLG
SCHEMBL18069355 0.76 F10 (0.56) F10PRSS1F2PRSS2PRSS3
SCHEMBL202409 0.76 SLC7A5 (0.65) PRSS1PRSS2PRSS3LOXL2
SCHEMBL288337 0.76 SLC7A5 (0.65) PRSS1PRSS2PRSS3LOXL2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed