SCHEMBL29860422

SCHEMBL29860422

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.49
▸ TFPI P10646 1/20 0.47
▸ PTH1R Q03431 2/20 0.43
▸ ENPEP Q07075 5/20 0.43
▸ NPY2R P49146 5/20 0.43
▸ NPY4R P50391 5/20 0.43
▸ NPY5R Q15761 5/20 0.43
▸ NPY1R P25929 4/20 0.43
▸ VIPR2 P41587 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ GLP1R P43220 1/20 0.42
▸ MUS81 Q96NY9 1/20 0.42

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
SCHEMBL31307261 0.94 RXFP1 (0.47) RXFP1TFPIPTH1RENPEPNPY2R
SCHEMBL31410857 0.92 RXFP1 (0.47) RXFP1TFPIPTH1RENPEPVIPR2
SCHEMBL10336105 0.92 RXFP1 (0.52) RXFP1TFPIPTH1RNPY2RNPY4R
SCHEMBL10336101 0.92 RXFP1 (0.52) RXFP1TFPIPTH1RNPY2RNPY4R
SCHEMBL31307248 0.91 RXFP1 (0.47) RXFP1TFPIPTH1RNPY2RNPY4R
SCHEMBL31410830 0.91 GLP1R (0.50) TFPIPTH1RNPY2RNPY4RNPY5R
SCHEMBL31307272 0.90 RXFP1 (0.47) RXFP1TFPIPTH1RNPY2RNPY4R
SCHEMBL607985 0.88 NOD1 (0.40) RXFP1ENPEPNPY2RNPY4RNPY5R
SCHEMBL607984 0.88 NOD1 (0.40) RXFP1ENPEPNPY2RNPY4RNPY5R
SCHEMBL30563214 0.88 NOD1 (0.40) RXFP1TFPINPY2RNPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500452-B Bioactive polypeptide IQIVQNEGR, and preparation method and application thereof 南京中医药大学 2022-08-12 — — CN claimed
CN-112500452-B Bioactive polypeptide IQIVQNEGR, and preparation method and application thereof 南京中医药大学 2022-08-12 — — CN disclosed
CN-112500452-B Bioactive polypeptide IQIVQNEGR, and preparation method and application thereof 南京中医药大学 2022-08-12 — — CN disclosed
Send feedback