SCHEMBL247240

SCHEMBL247240

CC(C)(C)c1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.42
▸ NPY1R P25929 9/20 0.42
▸ NPY5R Q15761 8/20 0.42
▸ NPY2R P49146 5/20 0.42
▸ GRN P28799 2/20 0.40
▸ SORT1 Q99523 2/20 0.40
▸ CCKBR P32239 1/20 0.37

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
SCHEMBL10024402 0.92 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2R
SCHEMBL3385091 0.91 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RCCKBR
SCHEMBL3385099 0.87 CCKBR (0.39) NPY4RNPY1RNPY5RNPY2RCCKBR
SCHEMBL13448796 0.87 CCKBR (0.39) NPY4RNPY1RNPY5RNPY2RCCKBR
SCHEMBL13449178 0.87 CCKBR (0.39) NPY4RNPY1RNPY5RNPY2RCCKBR
SCHEMBL13449161 0.84 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL25083986 0.82 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16144999 0.81 KDM4E (0.42) GRNSORT1
SCHEMBL16144992 0.81 KDM4E (0.42) GRNSORT1
SCHEMBL30034921 0.76 KISS1R (0.56) NPY4RNPY1RNPY5RNPY2R

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-2012001142-A1 IMPROVED ANTIBODY BINDING AFFINITY LIGANDS NOVO NORDISK A/S (DK) 2012-01-05 — — WO disclosed
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