SCHEMBL30757406

SCHEMBL30757406

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 1/20 0.63
▸ ERAP2 Q6P179 1/20 0.63
▸ KISS1R Q969F8 13/20 0.63
▸ NPY4R P50391 6/20 0.63
▸ NPY1R P25929 4/20 0.63
▸ NPY2R P49146 2/20 0.63
▸ NPY5R Q15761 2/20 0.63

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
SCHEMBL30092956 0.96 NPBWR1 (0.65) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL31188709 0.96 KISS1R (0.64) IL1RNERAP2KISS1RNPY4RNPY1R
SCHEMBL30669192 0.95 NPY1R (0.57) IL1RNERAP2KISS1RNPY4RNPY1R
SCHEMBL31257039 0.94 IL1RN (0.65) IL1RNERAP2KISS1RNPY4RNPY1R
SCHEMBL30845377 0.94 KISS1R (0.72) KISS1R
SCHEMBL30517760 0.93 ERAP2 (0.59) IL1RNERAP2KISS1R
SCHEMBL30093009 0.93 NPBWR1 (0.69) KISS1R
SCHEMBL30093007 0.93 NPBWR1 (0.69) KISS1R
SCHEMBL30919240 0.93 KISS1R (0.64) KISS1R
SCHEMBL29615834 0.93 KISS1R (0.73) KISS1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912673-B Sesame-derived low-bitter ACE (angiotensin converting enzyme) inhibitory peptide as well as preparation method and application thereof 河南省农业科学院 2024-02-09 — — CN disclosed
CN-113912673-B Sesame-derived low-bitter ACE (angiotensin converting enzyme) inhibitory peptide as well as preparation method and application thereof 河南省农业科学院 2024-02-09 — — CN disclosed
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