SCHEMBL1662044

SCHEMBL1662044

CN[C@@H](CCCNC(=N)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 11/20 0.38
NPY1R P25929 8/20 0.38
NPY5R Q15761 7/20 0.38
NPY2R P49146 4/20 0.38
TACR3 P29371 1/20 0.38
CCKBR P32239 1/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRND Q07001 1/20 0.36
OPRK1 P41145 1/20 0.36
KISS1R Q969F8 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
SCHEMBL1661328 0.91 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2RTACR3
SCHEMBL1661320 0.90 GRIA1 (0.43) NPY4RNPY1RNPY5RNPY2RCHRNA1
SCHEMBL1661064 0.89 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL1661928 0.86 CTSL (0.47) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL12793435 0.86 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RTACR3
SCHEMBL13733975 0.82 NPY4R (0.35) NPY4RNPY1RNPY5RNPY2RTACR3
SCHEMBL12794210 0.81 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL13734168 0.81 CCKBR (0.34) NPY4RNPY1RNPY5RNPY2RTACR3
SCHEMBL19252729 0.79 CTSL (0.47) OPRK1
SCHEMBL17495217 0.79 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2RCCKBR

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-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO disclosed