SCHEMBL13363649

SCHEMBL13363649

CC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 7/20 0.42
NPY5R Q15761 6/20 0.42
NPY1R P25929 5/20 0.42
NPY2R P49146 3/20 0.42
EPHX2 P34913 3/20 0.38
TLR2 O60603 1/20 0.38
LPAR3 Q9UBY5 4/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 1/20 0.37
LPAR1 Q92633 2/20 0.36
NOD1 Q9Y239 1/20 0.36
ALB P02768 1/20 0.36

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
SCHEMBL19227721 0.87 EPHX2 (0.46) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL23079351 0.87 NPY4R (0.45) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL16359252 0.81 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL15185892 0.81 NPY4R (0.44) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL15185989 0.80 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2R
SCHEMBL17986400 0.79 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL12071642 0.79 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL13363616 0.79 FAAH (0.54) EPHX2LPAR3NOD1
SCHEMBL26303165 0.79 FAAH (0.54) EPHX2LPAR3NOD1
SCHEMBL21930714 0.78 NPY4R (0.39) NPY4RNPY5RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed