SCHEMBL29933803

SCHEMBL29933803

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.48
▸ CALCRL Q16602 3/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ F2 P00734 1/20 0.44
▸ NPY2R P49146 5/20 0.43
▸ NPY4R P50391 5/20 0.43
▸ NPY5R Q15761 5/20 0.43
▸ NPY1R P25929 4/20 0.43
▸ NTSR2 O95665 2/20 0.43
▸ NTSR1 P30989 2/20 0.43
▸ SORT1 Q99523 2/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ AGTR2 P50052 1/20 0.43
▸ ACE P12821 1/20 0.43

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
SCHEMBL30166936 0.94 NPY2R (0.50) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974457 0.93 GRB2 (0.52) GRB2OPRM1F2NTSR2NTSR1
SCHEMBL32677419 0.90 NTSR1 (0.48) GRB2CALCRLNPY2RNPY4RNPY5R
SCHEMBL32677422 0.90 NTSR1 (0.48) GRB2CALCRLNPY2RNPY4RNPY5R
SCHEMBL29844485 0.89 CALCRL (0.48) GRB2CALCRLOPRM1F2NPY2R
SCHEMBL29679816 0.89 OPRM1 (0.49) GRB2OPRM1F2NPY2RNPY4R
SCHEMBL30974101 0.88 CALCRL (0.46) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182748 0.88 KDM1A (0.49) GRB2OPRM1NPY2RNPY4RNPY5R
SCHEMBL30118985 0.88 GRB2 (0.48) GRB2OPRM1F2NPY2RNPY4R
SCHEMBL29906299 0.87 CALCRL (0.47) GRB2CALCRLOPRM1F2NPY2R

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-2022197266-A1 BETA-LACTOGLOBULIN AND BETA-LACTOGLOBULIN DERIVED PEPTIDE PRODUCTS FROM GOAT MILK MARMARA UNIVERSITESI REKTORLUGU OZEL KALEM BİRİMİ (TR) 2022-09-22 — — WO disclosed
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