Sugi Predict

Sugi Predict / Compounds / SCHEMBL30038817

SCHEMBL30038817

SCHEMBL30038817

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

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 20/20 0.63
▸ NTSR2 O95665 11/20 0.63
▸ SORT1 Q99523 11/20 0.63

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
SCHEMBL30038534 0.94 NTSR1 (0.60) NTSR1NTSR2SORT1
SCHEMBL30686901 0.92 NTSR1 (0.72) NTSR1NTSR2SORT1
SCHEMBL30038126 0.85 NTSR1 (0.62) NTSR1NTSR2SORT1
SCHEMBL19682065 0.84 NTSR1 (0.58) NTSR1NTSR2SORT1
SCHEMBL12523184 0.84 NTSR1 (0.60) NTSR1NTSR2SORT1
SCHEMBL12523183 0.83 NTSR1 (0.62) NTSR1NTSR2SORT1
SCHEMBL12523185 0.83 NTSR1 (0.58) NTSR1NTSR2SORT1
SCHEMBL29886800 0.82 NTSR2 (0.67) NTSR1NTSR2SORT1
SCHEMBL30943511 0.82 NMUR2 (0.58) NTSR1NTSR2SORT1
SCHEMBL19682203 0.82 NTSR1 (0.56) 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
EP-4329827-A1 TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE Alphathera AG (CH) 2024-03-06 — — EP disclosed
WO-2022231424-A1 TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE ALPHATHERA AG (CH) 2022-11-03 — — WO disclosed
Send feedback