SCHEMBL30331172

SCHEMBL30331172

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 5/20 0.51
▸ C5AR1 P21730 1/20 0.50
▸ GLP1R P43220 3/20 0.49
▸ SCTR P47872 1/20 0.49
▸ TFPI P10646 1/20 0.48
▸ VIPR2 P41587 3/20 0.48
▸ CD47 Q08722 1/20 0.48
▸ NPY4R P50391 5/20 0.47
▸ NPY1R P25929 4/20 0.47
▸ NPY2R P49146 4/20 0.47
▸ NPY5R Q15761 4/20 0.47
▸ VIPR1 P32241 3/20 0.47

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
SCHEMBL30331687 0.91 NPY4R (0.49) IL23RC5AR1GLP1RSCTRNPY4R
SCHEMBL30592739 0.91 C5AR1 (0.55) IL23RC5AR1GLP1RSCTRTFPI
SCHEMBL29883702 0.88 NPY4R (0.49) IL23RNPY4RNPY1RNPY2RNPY5R
SCHEMBL31680265 0.87 TFPI (0.50) IL23RC5AR1GLP1RSCTRTFPI
SCHEMBL29641002 0.87 NPY4R (0.54) IL23RC5AR1GLP1RSCTRTFPI
SCHEMBL30661159 0.87 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9551332 0.87 C5AR1 (0.46) IL23RC5AR1GLP1RSCTRVIPR2
SCHEMBL30202407 0.86 NPY4R (0.56) IL23RTFPINPY4RNPY1RNPY2R
SCHEMBL31688320 0.86 IL23R (0.50) IL23RGLP1RSCTRVIPR2NPY4R
SCHEMBL31064947 0.85 BACE1 (0.55) GLP1RSCTRVIPR2NPY4RNPY1R

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-112500451-B Peptide compound for repairing skin immunity and application thereof 中科南京绿色制造产业创新研究院 2023-04-14 — — CN claimed
CN-112500451-B Peptide compound for repairing skin immunity and application thereof 中科南京绿色制造产业创新研究院 2023-04-14 — — CN disclosed
Send feedback