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SCHEMBL31558595

SCHEMBL31558595

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.58
▸ CALCR P30988 3/20 0.55
▸ RAMP3 O60896 1/20 0.55
▸ NPY2R P49146 7/20 0.54
▸ NPY4R P50391 7/20 0.54
▸ NPY5R Q15761 7/20 0.54
▸ NPY1R P25929 5/20 0.54
▸ EP300 Q09472 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ SORT1 Q99523 1/20 0.53
▸ APLNR P35414 1/20 0.52

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
SCHEMBL31558553 1.00 F2 (0.58) F2CALCRRAMP3NPY2RNPY4R
SCHEMBL29903358 0.91 F2 (0.61) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL30906000 0.88 C5AR1 (0.58) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29670106 0.88 F2 (0.61) F2NTSR2NTSR1SORT1APLNR
SCHEMBL29416004 0.88 NPY2R (0.59) F2CALCRRAMP3NPY2RNPY4R
SCHEMBL29736305 0.87 F2 (0.59) F2NTSR2NTSR1SORT1APLNR
SCHEMBL29903219 0.87 NPY2R (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974429 0.87 MC4R (0.61) F2CALCRRAMP3
SCHEMBL31182486 0.87 CALCR (0.69) F2CALCRRAMP3NPY2RNPY4R
SCHEMBL31182761 0.87 CALCR (0.67) F2CALCRRAMP3NPY2RNPY4R

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
WO-2025084336-A1 MOLECULE CAPABLE OF SIMULTANEOUSLY BINDING TO AAV CAPSID AND TARGET RECEPTOR 国立大学法人大阪大学 2025-04-24 — — WO claimed
WO-2025084336-A1 MOLECULE CAPABLE OF SIMULTANEOUSLY BINDING TO AAV CAPSID AND TARGET RECEPTOR 国立大学法人大阪大学 2025-04-24 — — WO disclosed
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