SCHEMBL31454223

SCHEMBL31454223

CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)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 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.54
▸ GHSR Q92847 2/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ KISS1R Q969F8 4/20 0.53
▸ GLP1R P43220 8/20 0.53
▸ NPBWR1 P48145 2/20 0.52
▸ GCGR P47871 1/20 0.52
▸ CXCR4 P61073 1/20 0.51
▸ PTH1R Q03431 1/20 0.51
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51
▸ TUBB4B P68371 1/20 0.51
▸ TUBB3 Q13509 1/20 0.51
▸ TUBB2A Q13885 1/20 0.51
▸ TUBB8 Q3ZCM7 1/20 0.51
▸ TUBA3E Q6PEY2 1/20 0.51
▸ TUBA1A Q71U36 1/20 0.51

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
SCHEMBL31454225 0.96 GLP1R (0.56) GHSRNPY2RKISS1RGLP1RGCGR
SCHEMBL31399734 0.95 IL23R (0.51) C5AR1GHSRNPY2RKISS1RGLP1R
SCHEMBL31399744 0.94 IL23R (0.51) C5AR1GHSRNPY2RGLP1RNPBWR1
SCHEMBL30518069 0.94 C5AR1 (0.59) C5AR1GHSRNPY2RKISS1RNPBWR1
SCHEMBL29973131 0.93 C5AR1 (0.55) C5AR1GHSRNPY2RGLP1RGCGR
SCHEMBL29384877 0.93 C5AR1 (0.55) C5AR1GHSRNPY2RGLP1RGCGR
SCHEMBL29860256 0.93 PTH1R (0.61) C5AR1GHSRNPY2RKISS1RGLP1R
SCHEMBL31399727 0.93 CXCR4 (0.53) GLP1RNPBWR1GCGRCXCR4TUBB4A
SCHEMBL31680254 0.91 C5AR1 (0.58) C5AR1GHSRNPY2RKISS1RGLP1R
SCHEMBL29540716 0.91 C5AR1 (0.58) C5AR1GHSRNPY2RKISS1RGLP1R

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
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 claimed
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