SCHEMBL7205002

SCHEMBL7205002

N[C@@H](CC(=O)O)C(=O)[C@](N)(CC1CCCCC1)C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
KIF11 P52732 2/20 0.37
METAP2 P50579 2/20 0.36
METAP1 P53582 1/20 0.36
KLK7 P49862 1/20 0.35
BCHE P06276 3/20 0.35
CCR1 P32246 2/20 0.35
OPRK1 P41145 1/20 0.35
MMP2 P08253 2/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
CHRM3 P20309 1/20 0.34
FFAR1 O14842 1/20 0.34
IDO1 P14902 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 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
SCHEMBL7205034 0.90 FNTA (0.37) FNTAFNTBKIF11METAP2METAP1
SCHEMBL4960998 0.78 GRM2 (0.36) METAP2METAP1MMP2MMP1MMP3
SCHEMBL7852252 0.78 OPRK1 (0.36) FNTAFNTBMETAP2METAP1OPRK1
SCHEMBL7858173 0.78 TSHR (0.34) KIF11METAP2CHRM3IDO1MEN1
SCHEMBL11217507 0.78 GRM2 (0.42) METAP1
SCHEMBL7210238 0.75 OPRK1 (0.36) FNTAFNTBMETAP2METAP1KLK7
SCHEMBL7204626 0.74 OPRK1 (0.36) FNTAFNTBKLK7OPRK1MMP2
SCHEMBL7204995 0.73 MMP2 (0.50) METAP2METAP1MMP2MMP1MMP3
SCHEMBL28617754 0.73 KLK7 (0.42) KIF11KLK7OPRK1MEN1KMT2A
SCHEMBL28617753 0.73 KLK7 (0.42) KIF11KLK7OPRK1MEN1KMT2A

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