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SCHEMBL12697274

SCHEMBL12697274

Cc1ccc(C[C@H](NC(=O)CN2CCNCC2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 11/20 0.64
▸ NMUR1 Q9HB89 10/20 0.64
▸ EPHA2 P29317 3/20 0.56
▸ NPY5R Q15761 4/20 0.54
▸ NPY1R P25929 3/20 0.54
▸ NPY4R P50391 3/20 0.54
▸ KISS1R Q969F8 2/20 0.49
▸ NPY2R P49146 1/20 0.49

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
SCHEMBL10079188 0.96 NMUR2 (0.70) NMUR2NMUR1EPHA2NPY5RNPY1R
SCHEMBL2632647 0.85 NMUR2 (0.84) NMUR2NMUR1EPHA2
SCHEMBL10078742 0.78 NMUR2 (0.68) NMUR2NMUR1NPY5RNPY1RNPY4R
SCHEMBL12697275 0.78 NMUR2 (0.61) NMUR2NMUR1EPHA2NPY5RNPY1R
SCHEMBL17226120 0.78 NPY5R (0.58) NMUR2NMUR1NPY5RNPY1RNPY4R
SCHEMBL29532180 0.77 NPY4R (0.58) NMUR2NMUR1NPY5RNPY1RNPY4R
SCHEMBL17226116 0.76 KISS1R (0.56) KISS1R
SCHEMBL2632668 0.75 NMUR2 (0.73) NMUR2NMUR1
SCHEMBL10079193 0.75 NPY4R (0.64) NMUR2NMUR1NPY5RNPY1RNPY4R
SCHEMBL31279579 0.74 NPY4R (0.61) NPY5RNPY1RNPY4RKISS1RNPY2R

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-2012050227-A1 PEPTIDE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 — — WO disclosed