SCHEMBL30037432

SCHEMBL30037432

N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.34
▸ GLP1R P43220 5/20 0.34
▸ OPRM1 P35372 2/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ GSTK1 Q9Y2Q3 1/20 0.32
▸ SCTR P47872 1/20 0.32

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
SCHEMBL1371052 1.00 OPRD1 (0.34) OPRD1GLP1ROPRM1PTGS1GSTK1
SCHEMBL30455074 0.94 OPRD1 (0.36) OPRD1GLP1ROPRM1PTGS1GSTK1
SCHEMBL30666352 0.92 OPRD1 (0.33) OPRD1OPRM1PTGS1GSTK1
SCHEMBL30038078 0.89 MME (0.39) —
SCHEMBL29598237 0.89 MME (0.40) —
SCHEMBL30627705 0.89 PTGS1 (0.35) OPRD1OPRM1PTGS1GSTK1
SCHEMBL29630845 0.89 PTGS1 (0.35) OPRD1OPRM1PTGS1GSTK1
SCHEMBL31256943 0.89 OPRM1 (0.42) OPRD1GLP1ROPRM1
SCHEMBL29475312 0.88 GLP1R (0.36) GLP1RPTGS1GSTK1SCTR
SCHEMBL34464905 0.88 PTGS1 (0.36) OPRD1OPRM1PTGS1GSTK1

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 4 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 claimed
WO-2022231424-A1 TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE ALPHATHERA AG (CH) 2022-11-03 — — WO claimed
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
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