SCHEMBL7205034

SCHEMBL7205034

N[C@@H](CC(=O)O)C(=O)C(N)(CCC1CCCCC1)C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
KLK7 P49862 3/20 0.37
KIF11 P52732 2/20 0.37
CHRM3 P20309 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 3/20 0.34
OPRK1 P41145 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
FFAR1 O14842 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL7205002 0.90 FNTA (0.38) FNTAFNTBKLK7KIF11CHRM3
SCHEMBL7204626 0.80 OPRK1 (0.36) FNTAFNTBKLK7OPRK1MMP1
SCHEMBL7858173 0.78 TSHR (0.34) KIF11CHRM3METAP2MEN1KMT2A
SCHEMBL7212756 0.76 KLK7 (0.36) FNTAFNTBKLK7METAP2METAP1
SCHEMBL7205030 0.74 MMP2 (0.48) KLK7KIF11METAP2METAP1MMP1
SCHEMBL7852252 0.74 OPRK1 (0.36) FNTAFNTBMETAP2METAP1KMT2A
SCHEMBL7204995 0.72 MMP2 (0.50) METAP2METAP1MMP1MMP2MMP3
Hydrochloric Acid SCHEMBL7205141 0.72 MMP2 (0.49) METAP2METAP1MMP1MMP2MMP3
Trifluoroacetic Acid SCHEMBL7206374 0.71 MMP2 (0.44) KLK7KIF11MMP1MMP2MMP3
SCHEMBL7210238 0.70 OPRK1 (0.36) FNTAFNTBKLK7METAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP disclosed
US-6180759-B1 PREPARING AZACYCLOALKANOYLPSEUDOTETRAPEPTIDES COMPRISING COUPLING A DIPEPTIDE WITH A PSEUDODIPEPTIDE; FOR EXAMPLE, N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-(L)-ALPHA-ASPARTYL-3 -CYCLOHEXYL-(L)-ALANINEAMIDE; USE AS ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 US disclosed
EP-1030831-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 WO disclosed