SCHEMBL31454225

SCHEMBL31454225

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 11/20 0.56
▸ GHSR Q92847 4/20 0.56
▸ NPY2R P49146 3/20 0.56
▸ PTH1R Q03431 2/20 0.55
▸ GCGR P47871 1/20 0.55
▸ KISS1R Q969F8 1/20 0.53
▸ NR3C1 P04150 1/20 0.53
▸ KEAP1 Q14145 1/20 0.53

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
SCHEMBL31454223 0.96 C5AR1 (0.54) GLP1RGHSRNPY2RPTH1RGCGR
SCHEMBL29860256 0.95 PTH1R (0.61) GLP1RGHSRNPY2RPTH1RGCGR
SCHEMBL30860218 0.92 PTH1R (0.59) GLP1RGHSRNPY2RPTH1RGCGR
SCHEMBL29664877 0.92 GLP1R (0.60) GLP1RGHSRNPY2RGCGR
SCHEMBL31399734 0.91 IL23R (0.51) GLP1RGHSRNPY2RGCGRKISS1R
SCHEMBL30136453 0.90 PTH1R (0.69) GLP1RPTH1RGCGR
SCHEMBL31399744 0.90 IL23R (0.51) GLP1RGHSRNPY2RGCGR
SCHEMBL30432368 0.90 GLP1R (0.60) GLP1RPTH1RGCGRNR3C1KEAP1
SCHEMBL30518069 0.90 C5AR1 (0.59) GHSRNPY2RKISS1R
SCHEMBL29384877 0.89 C5AR1 (0.55) GLP1RGHSRNPY2RGCGR

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-119633143-A CEACAM 6-targeted nuclide ligand, PET probe, and preparation methods and applications thereof 江苏省原子医学研究所 2025-03-18 — — CN disclosed
CN-119633143-A CEACAM 6-targeted nuclide ligand, PET probe, and preparation methods and applications thereof 江苏省原子医学研究所 2025-03-18 — — CN disclosed
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