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SCHEMBL1661064

SCHEMBL1661064

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.48
▸ NPY1R P25929 8/20 0.48
▸ NPY5R Q15761 8/20 0.48
▸ NPY2R P49146 5/20 0.48
▸ KISS1R Q969F8 1/20 0.43
▸ ACE P12821 1/20 0.43

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
SCHEMBL1662044 0.89 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL12793611 0.88 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2R
SCHEMBL19252747 0.86 PTGER4 (0.45) NPY4RNPY1RNPY5RNPY2RACE
SCHEMBL1661320 0.83 GRIA1 (0.43) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL1661328 0.81 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2R
SCHEMBL17495217 0.81 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL12793435 0.80 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16728107 0.80 NPY4R (0.69) NPY4RNPY1RNPY5RNPY2R
SCHEMBL1661928 0.79 CTSL (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL1661229 0.78 ACE (0.51) ACE

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

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