SCHEMBL30646297

SCHEMBL30646297

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 10/20 0.55
▸ OPRM1 P35372 2/20 0.53
▸ OPRD1 P41143 2/20 0.53

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
SCHEMBL31134428 0.88 CTSD (0.60) CTSD
SCHEMBL30050825 0.88 OPRD1 (0.53) CTSDOPRM1OPRD1
SCHEMBL31590754 0.87 MME (0.52) CTSDOPRM1OPRD1
SCHEMBL29448576 0.85 OPRD1 (0.55) CTSDOPRM1OPRD1
SCHEMBL30455239 0.85 CTSD (0.57) CTSD
SCHEMBL30455390 0.84 CTSD (0.60) CTSD
SCHEMBL30050940 0.84 CTSD (0.64) CTSD
SCHEMBL3202596 0.84 CTSD (0.64) CTSD
SCHEMBL31462077 0.83 OPRM1 (0.55) CTSDOPRM1OPRD1
SCHEMBL30053080 0.83 OPRD1 (0.56) OPRM1OPRD1

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
EP-4275688-A2 METHOD OF AMELIORATING OR PREVENTING THE WORSENING OR THE PROGRESSION OF SYMPTOMS OF BPH Nymox Corporation (BS) 2023-11-15 — — EP disclosed
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