SCHEMBL14478152

SCHEMBL14478152

NC(=O)C(CCC(=O)O)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APC P25054 3/20 0.51
▸ NPY4R P50391 4/20 0.45
▸ NPY5R Q15761 4/20 0.45
▸ NPY1R P25929 3/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ CCKBR P32239 3/20 0.44
▸ OPRD1 P41143 3/20 0.43
▸ OPRK1 P41145 3/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ MME P08473 1/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ NAALAD2 Q9Y3Q0 1/20 0.42

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
SCHEMBL14478087 0.92 APC (0.43) APCMMEFOLH1
SCHEMBL14478103 0.89 APC (0.60) APCNPY4RNPY5RNPY1RNPY2R
SCHEMBL14478093 0.88 APC (0.44) APCCCKBRMMEFOLH1
SCHEMBL14478149 0.84 APC (0.54) APCMMENAALAD2
SCHEMBL14478086 0.83 MME (0.43) APCMMEFOLH1
SCHEMBL14478105 0.81 OPRD1 (0.57) APCCCKBROPRD1
SCHEMBL15788809 0.78 CHRND (0.59) NPY4RNPY5RNPY1RNPY2R
SCHEMBL29540311 0.77 NAALAD2 (0.59) APCOPRD1OPRK1OPRM1FOLH1
SCHEMBL8219506 0.77 NPY4R (0.51) NPY4RNPY5RNPY1RNPY2ROPRD1
SCHEMBL25627431 0.77 APC (0.52) APCNPY4RNPY5RNPY1RNPY2R

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-2013001297-A1 BINDING INHIBITORS OF THE BETA.TRANSDUCIN REPEAT - CONTAINING PROTEIN ITI SCOTLAND LIMITED (GB) 2013-01-03 — — WO disclosed
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