SCHEMBL24012426

SCHEMBL24012426

Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.46
▸ OPRM1 P35372 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ NPFFR1 Q9GZQ6 1/20 0.46
▸ NPFFR2 Q9Y5X5 1/20 0.46

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
SCHEMBL16862465 1.00 OPRK1 (0.46) OPRK1OPRM1OPRD1NPFFR1NPFFR2
SCHEMBL22466372 0.93 NPY4R (0.46) OPRM1
SCHEMBL16862485 0.92 CTSL (0.54) OPRK1OPRM1OPRD1NPFFR1NPFFR2
SCHEMBL21627096 0.92 CTSL (0.54) OPRK1OPRM1OPRD1NPFFR1NPFFR2
Hydrochloric Acid SCHEMBL16862473 0.91 CTSL (0.53) OPRK1OPRM1OPRD1NPFFR1NPFFR2
SCHEMBL16862447 0.89 CCKBR (0.51) —
SCHEMBL21627146 0.89 CCKBR (0.51) —
SCHEMBL16869935 0.88 NPY4R (0.43) —
Trifluoroacetic Acid SCHEMBL16862455 0.87 CTSL (0.51) OPRK1
SCHEMBL17073816 0.86 CTSL (0.52) —

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-3087093-B1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES STEALTH BIOTHERAPEUTICS CORP (MC) 2021-11-10 — — EP disclosed
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