SCHEMBL31189254

SCHEMBL31189254

NCCCC[C@H](NC(=O)CCSSCCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 3/20 0.49
▸ CHRNA1 P02708 1/20 0.49
▸ CHRNG P07510 1/20 0.49
▸ CHRNB1 P11230 1/20 0.49
▸ GRIA1 P42261 1/20 0.48
▸ F2 P00734 2/20 0.47
▸ GHSR Q92847 1/20 0.46
▸ TFPI P10646 1/20 0.46
▸ CALCRL Q16602 2/20 0.46
▸ NPY1R P25929 2/20 0.46
▸ NPY2R P49146 2/20 0.46
▸ NPY4R P50391 2/20 0.46
▸ NPY5R Q15761 2/20 0.46

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
SCHEMBL29467399 0.96 CHRND (0.53) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL31189255 0.85 CCKBR (0.55) NPY1RNPY2RNPY4RNPY5R
SCHEMBL25627390 0.84 CHRND (0.50) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL24179825 0.84 CALCRL (0.63) GHSRCALCRL
SCHEMBL30688840 0.82 GHSR (0.51) GHSR
SCHEMBL29719451 0.81 GNPAT (0.56) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14598302 0.80 MME (0.52) CALCRL
SCHEMBL30688830 0.80 GHSR (0.54) GHSR
SCHEMBL14598297 0.80 MME (0.52) CALCRL
SCHEMBL29719643 0.80 GNPAT (0.56) GRIA1F2TFPINPY1RNPY2R

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-118903483-A Nuclide internal irradiation treatment sensitization medicine and preparation method thereof 华中科技大学同济医学院附属协和医院 2024-11-08 — — CN claimed
CN-118903483-A Nuclide internal irradiation treatment sensitization medicine and preparation method thereof 华中科技大学同济医学院附属协和医院 2024-11-08 — — CN disclosed
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