SCHEMBL16359252

SCHEMBL16359252

N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 10/20 0.52
NPY5R Q15761 6/20 0.52
NPY1R P25929 5/20 0.52
NPY2R P49146 3/20 0.52
TLR2 O60603 1/20 0.44
ALB P02768 1/20 0.43
NOD1 Q9Y239 2/20 0.41
ROCK2 O75116 2/20 0.41
PRKACA P17612 1/20 0.41
AKT3 Q9Y243 1/20 0.41
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL19346862 0.92 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL9666237 0.91 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL24724855 0.91 TLR2 (0.53) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL15185938 0.91 NPY4R (0.51) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL22821584 0.90 NOD1 (0.54) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL18796599 0.90 NOD1 (0.54) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL9666183 0.90 NOD1 (0.54) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL22806515 0.90 NOD1 (0.54) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL9664268 0.90 NOD1 (0.54) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL11347402 0.90 NOD1 (0.54) NPY4RNPY5RNPY1RNPY2RTLR2

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