SCHEMBL31362091

SCHEMBL31362091

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.69
▸ CRHR2 Q13324 1/20 0.69
▸ CALCR P30988 4/20 0.67
▸ HCRTR1 O43613 1/20 0.66
▸ HCRTR2 O43614 1/20 0.66
▸ F2 P00734 4/20 0.66
▸ NPY2R P49146 7/20 0.64
▸ NPY4R P50391 7/20 0.64
▸ NPY5R Q15761 7/20 0.64
▸ NPY1R P25929 5/20 0.64
▸ NMBR P28336 1/20 0.63
▸ GRPR P30550 1/20 0.63
▸ CCKBR P32239 2/20 0.61
▸ GLP1R P43220 2/20 0.61

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
SCHEMBL29351932 0.97 CRHR1 (0.74) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29496391 0.94 NPY2R (0.72) CALCRNPY2RNPY4RNPY5RNPY1R
Neuropeptide Y(Npy) SCHEMBL29557110 0.94 HCRTR1 (0.73) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29440046 0.91 CRHR1 (0.77) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29496288 0.91 NPY2R (0.74) CRHR1CRHR2CALCRNPY2RNPY4R
SCHEMBL29397746 0.91 NPY2R (0.73) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29526997 0.90 NPY2R (0.72) CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL13248707 0.89 NPY2R (0.80) CALCRNPY2RNPY4RNPY5RNPY1R
Neuropeptide-Y SCHEMBL31042464 0.89 NPY2R (0.73) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29379306 0.88 F2 (0.78) CRHR1CRHR2CALCRHCRTR1HCRTR2

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
EP-3307768-B1 SELECTIVE PYY COMPOUNDS AND USES THEREOF NOVO NORDISK AS (DK) 2025-01-29 — — EP disclosed
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