SCHEMBL30612296

SCHEMBL30612296

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.54
▸ NPY1R P25929 9/20 0.54
▸ NPY5R Q15761 8/20 0.54
▸ NPY2R P49146 5/20 0.54
▸ KISS1R Q969F8 4/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL30605443 1.00 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29576266 0.96 KISS1R (0.51) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30605456 0.94 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29684563 0.94 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL17887897 0.93 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL17887995 0.93 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31388270 0.92 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30845345 0.92 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30515238 0.92 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30252503 0.92 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R

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
CN-116903702-A Polypeptide and application thereof 中国科学院大连化学物理研究所 2023-10-20 — — CN disclosed
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