SCHEMBL1661320

SCHEMBL1661320

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.43
KISS1R Q969F8 1/20 0.42
NPY4R P50391 10/20 0.42
NPY1R P25929 6/20 0.42
NPY5R Q15761 6/20 0.42
NPY2R P49146 3/20 0.42
GNPAT O15228 1/20 0.41
OPRK1 P41145 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRND Q07001 1/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL1661928 0.91 CTSL (0.47) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL1662044 0.90 NPY4R (0.38) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL17495217 0.87 NPY4R (0.42) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL12792613 0.87 NPY4R (0.54) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL12794620 0.87 NPY4R (0.54) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL1661328 0.87 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2RCTSL
SCHEMBL19252729 0.84 CTSL (0.47) OPRK1CTSL
SCHEMBL17518408 0.83 NPY4R (0.46) GRIA1NPY4RNPY1RNPY5RNPY2R
SCHEMBL1661064 0.83 NPY4R (0.48) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL13733975 0.80 NPY4R (0.35) KISS1RNPY4RNPY1RNPY5RNPY2R

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