Sugi Predict

Sugi Predict / Compounds / SCHEMBL30880437

SCHEMBL30880437

SCHEMBL30880437

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 19/20 0.82
▸ NTSR2 O95665 17/20 0.82
▸ SORT1 Q99523 14/20 0.81

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
SCHEMBL29533517 0.97 NTSR1 (0.82) NTSR1NTSR2SORT1
SCHEMBL29582705 0.95 NTSR2 (0.86) NTSR1NTSR2SORT1
SCHEMBL1421733 0.95 NTSR1 (0.74) NTSR1NTSR2SORT1
SCHEMBL1421754 0.95 NTSR1 (0.74) NTSR1NTSR2SORT1
SCHEMBL29702258 0.94 NTSR1 (0.73) NTSR1NTSR2SORT1
SCHEMBL29583282 0.94 NTSR1 (0.73) NTSR1NTSR2SORT1
SCHEMBL1421525 0.92 NTSR1 (0.72) NTSR1NTSR2SORT1
SCHEMBL1421513 0.92 NTSR1 (0.72) NTSR1NTSR2SORT1
SCHEMBL1421598 0.92 NTSR1 (0.72) NTSR1NTSR2SORT1
SCHEMBL1421605 0.92 NTSR1 (0.72) NTSR1NTSR2SORT1

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-117820421-A Cyclic peptide compound and preparation method and application thereof 南开大学 2024-04-05 — — CN claimed
CN-117820421-A Cyclic peptide compound and preparation method and application thereof 南开大学 2024-04-05 — — CN disclosed