SCHEMBL29569123

SCHEMBL29569123

NC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.34
▸ KISS1R Q969F8 1/20 0.33
▸ VHL P40337 2/20 0.33
▸ F2 P00734 2/20 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
SCHEMBL29569960 0.86 CALCRL (0.38) OPRM1F2
SCHEMBL29568889 0.85 CALCRL (0.38) OPRM1F2
SCHEMBL29720853 0.81 NAALAD2 (0.37) OPRM1VHL
SCHEMBL29569112 0.80 APLNR (0.43) OPRM1F2
SCHEMBL29568928 0.79 APLNR (0.44) OPRM1F2
SCHEMBL4440607 0.78 ATM (0.42) OPRM1VHL
SCHEMBL4440601 0.78 ATM (0.42) OPRM1VHL
SCHEMBL29569350 0.77 APLNR (0.41) OPRM1F2
SCHEMBL29373629 0.76 ECE1 (0.39) —
SCHEMBL29630620 0.75 OPRD1 (0.38) OPRM1F2

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-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP disclosed
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