SCHEMBL3385099

SCHEMBL3385099

CC(C)(C)c1cc(C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 1/20 0.39
▸ NPY4R P50391 10/20 0.38
▸ NPY5R Q15761 8/20 0.38
▸ NPY1R P25929 7/20 0.38
▸ NPY2R P49146 5/20 0.38
▸ TFPI P10646 1/20 0.35

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
SCHEMBL13449178 1.00 CCKBR (0.39) CCKBRNPY4RNPY5RNPY1RNPY2R
SCHEMBL13448796 1.00 CCKBR (0.39) CCKBRNPY4RNPY5RNPY1RNPY2R
SCHEMBL3385091 0.95 NPY4R (0.41) CCKBRNPY4RNPY5RNPY1RNPY2R
SCHEMBL13449161 0.88 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2R
SCHEMBL247240 0.87 NPY4R (0.42) CCKBRNPY4RNPY5RNPY1RNPY2R
SCHEMBL10024402 0.85 NPY4R (0.44) NPY4RNPY5RNPY1RNPY2R
SCHEMBL25083986 0.81 NPY4R (0.38) NPY4RNPY5RNPY1RNPY2R
SCHEMBL13993340 0.79 NPY4R (0.44) NPY4RNPY5RNPY1RNPY2R
SCHEMBL29785005 0.75 NPY4R (0.40) NPY4RNPY5RNPY1RNPY2R
SCHEMBL24933039 0.74 NPY4R (0.34) NPY4RNPY5RNPY1RNPY2R

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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