SCHEMBL7899768

SCHEMBL7899768

NCCCC[C@H](N)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.47
DPP9 Q86TI2 4/20 0.41
DPP7 Q9UHL4 6/20 0.40
DPP8 Q6V1X1 3/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
CPB2 Q96IY4 1/20 0.37
CTSK P43235 3/20 0.37
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSH P09668 2/20 0.35
CTSS P25774 2/20 0.35
CTSF Q9UBX1 1/20 0.35
DPP4 P27487 1/20 0.35
ERAP2 Q6P179 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
RNPEP Q9H4A4 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
SCHEMBL7899765 1.00 GSR (0.47) GSRDPP9DPP7DPP8GNAI3
SCHEMBL8582966 0.85 DPP7 (0.41) DPP9DPP7DPP8DPP4ERAP2
SCHEMBL16915264 0.80 MTOR (0.31)
SCHEMBL24630081 0.79 NOS2 (0.34)
SCHEMBL29936605 0.78 DPP7 (0.36) DPP7DPP8GNAI3GNAO1GNAI1
SCHEMBL28305389 0.78 GSR (0.61) GSRDPP9DPP7DPP8GNAI3
SCHEMBL19692614 0.77 MARS1 (0.39) RNPEP
SCHEMBL19692615 0.77 MARS1 (0.39) RNPEP
SCHEMBL10241523 0.76 SCN5A (0.43) GSRDPP9DPP7DPP8
SCHEMBL5499177 0.75 PTGS1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6168912-B1 CONVERTING IN PARALLEL, A SET OF AT LEAST TWO DIFFERENT ALPHA-ALLYL CARBONYL MONOMERS OF DEFINED STRUCTURE, THEN OLIGOMERIZING THROUGH A HETEROATOM MARTEK BIOSCIENCES CORPORATION 2001-01-02 US disclosed
EP-0683676-A4 DIRECTED BIODISTRIBUTION OF SMALL MOLECULES. NEORX CORP (US) 1998-09-30 EP disclosed
EP-0683676-A1 DIRECTED BIODISTRIBUTION OF SMALL MOLECULES NEORX CORPORATION (US) 1995-11-29 EP disclosed
EP-0679196-A1 DNA SEQUENCING BY MASS SPECTROMETRY SEQUENOM, INC. (US) 1995-11-02 EP disclosed
WO-1994017829-A1 DIRECTED BIODISTRIBUTION OF SMALL MOLECULES NEORX CORPORATION (US) 1994-08-18 WO disclosed
WO-1994016101-A2 DNA SEQUENCING BY MASS SPECTROMETRY KOESTER HUBERT (US) 1994-07-21 WO disclosed