SCHEMBL29467399

SCHEMBL29467399

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 7/20 0.53
▸ CHRNA1 P02708 3/20 0.53
▸ CHRNG P07510 3/20 0.53
▸ CHRNB1 P11230 3/20 0.53
▸ GRIA1 P42261 2/20 0.52
▸ F2 P00734 1/20 0.48

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
SCHEMBL31189254 0.96 CHRND (0.49) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL25627390 0.84 CHRND (0.50) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14598302 0.84 MME (0.52) —
SCHEMBL14598297 0.84 MME (0.52) —
SCHEMBL25627351 0.83 CHRND (0.50) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL19273825 0.82 ITGB3 (0.54) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL31189255 0.81 CCKBR (0.55) —
SCHEMBL15165351 0.81 CHRNA1 (0.52) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL13563449 0.80 GNPAT (0.58) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL12794624 0.80 GNPAT (0.58) CHRNDCHRNA1CHRNGCHRNB1GRIA1

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-114099701-A Self-assembly composite polypeptide, preparation method thereof and medicine 华中科技大学同济医学院附属协和医院 2022-03-01 — — CN disclosed
Send feedback