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Sugi Predict / Compounds / SCHEMBL29823022

SCHEMBL29823022

SCHEMBL29823022

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 11/20 0.51
▸ NTSR2 O95665 10/20 0.51
▸ SORT1 Q99523 7/20 0.51
▸ OPRD1 P41143 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45

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
SCHEMBL29362259 0.91 NPY2R (0.47) NTSR1NTSR2SORT1
SCHEMBL29805251 0.91 NPY2R (0.47) NTSR1NTSR2SORT1
SCHEMBL30512644 0.89 NTSR1 (0.56) NTSR1NTSR2SORT1
SCHEMBL30512575 0.88 NPY2R (0.49) NTSR1NTSR2SORT1
SCHEMBL30286598 0.87 NTSR1 (0.50) NTSR1NTSR2SORT1
SCHEMBL30607292 0.87 CALCR (0.54) —
SCHEMBL30390361 0.87 NTSR1 (0.51) NTSR1NTSR2SORT1
SCHEMBL30844247 0.86 NPY2R (0.47) NTSR1NTSR2SORT1
SCHEMBL30577825 0.85 NTSR2 (0.53) NTSR1NTSR2SORT1
SCHEMBL31031621 0.85 NPY2R (0.58) —

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
US-20220229065-A1 SENSORS AND METHODS FOR RAPID MICROBIAL DETECTION BAMBU VAULT LLC (US) 2022-07-21 — — US disclosed
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