SCHEMBL31260575

SCHEMBL31260575

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.49
▸ NPY4R P50391 7/20 0.49
▸ NPY5R Q15761 7/20 0.49
▸ NPY1R P25929 5/20 0.49
▸ APLNR P35414 1/20 0.49
▸ RAMP3 O60896 3/20 0.49
▸ CALCR P30988 3/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ EED O75530 1/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ NTSR1 P30989 2/20 0.47
▸ NTSR2 O95665 1/20 0.47
▸ SORT1 Q99523 1/20 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
SCHEMBL31260576 1.00 NPY2R (0.49) NPY2RNPY4RNPY5RNPY1RAPLNR
SCHEMBL30633112 0.95 NTSR1 (0.50) NPY2RNPY4RNPY5RNPY1RAPLNR
SCHEMBL31260574 0.95 NTSR1 (0.50) NPY2RNPY4RNPY5RNPY1RAPLNR
SCHEMBL30633109 0.89 NTSR2 (0.53) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30185766 0.87 APLNR (0.54) APLNRRAMP3CALCROPRM1OPRK1
SCHEMBL30185752 0.87 APLNR (0.54) APLNRRAMP3CALCROPRM1OPRK1
SCHEMBL30185756 0.86 RAMP3 (0.56) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29655958 0.86 MAPK8 (0.52) NPY2RNPY4RNPY5RNPY1RAPLNR
SCHEMBL31182981 0.85 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30185730 0.85 OPRM1 (0.52) NPY1ROPRM1OPRK1NTSR1NTSR2

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-2024239654-A1 USE OF SYNTHETIC POLYPEPTIDE IN MAINTENANCE OF STEM CELL STEMNESS 艾一生命科技(广东)有限公司 2024-11-28 — — WO disclosed
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