SCHEMBL7708062

SCHEMBL7708062

[NH]C(=O)[C@@H](Cc1ccc(C(=N)N)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.57
MMP8 P22894 1/20 0.57
TMPRSS6 Q8IU80 6/20 0.56
ST14 Q9Y5Y6 1/20 0.54
MASP2 O00187 1/20 0.54
F7 P08709 1/20 0.53
TPSAB1 Q15661 1/20 0.52
PROC P04070 1/20 0.50
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 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
SCHEMBL16466537 0.79 MMP8 (0.71) MMP8
SCHEMBL7291494 0.79 F2 (0.56) F2MMP8TMPRSS6MASP2F7
SCHEMBL7889148 0.78 F2 (0.55) F2MMP8TMPRSS6MASP2F7
SCHEMBL7889152 0.78 F2 (0.55) F2MMP8TMPRSS6MASP2F7
SCHEMBL5041567 0.77 TPSAB1 (0.62) F2TMPRSS6ST14MASP2F7
SCHEMBL5041565 0.77 TPSAB1 (0.62) F2TMPRSS6ST14MASP2F7
Hydrochloric Acid SCHEMBL5041862 0.76 TPSAB1 (0.60) F2TMPRSS6ST14MASP2F7
Hydrochloric Acid SCHEMBL5041868 0.76 TPSAB1 (0.60) F2TMPRSS6ST14MASP2F7
SCHEMBL9029700 0.76 TPSAB1 (0.71) F2TPSAB1
Hydrochloric Acid SCHEMBL27450409 0.76 F2 (0.67) F2MMP8TMPRSS6ST14MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265867-A1 NOVEL MALONIC ACID DERIVATES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS INHIBITOR OF FACTOR XA ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma Deutschland GmbH (DE) 2002-12-18 EP disclosed
WO-2001062735-A1 NOVEL MALONIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS INHIBITOR OF FACTOR XA ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-30 WO disclosed