Sugi Predict

Sugi Predict / Compounds / SCHEMBL22962406

SCHEMBL22962406

SCHEMBL22962406

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCN(C(=O)N(C)C)CC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 20/20 0.77
▸ OPRM1 P35372 3/20 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
SCHEMBL22962195 0.94 OPRK1 (0.69) OPRK1OPRM1
SCHEMBL22962161 0.93 OPRK1 (0.74) OPRK1OPRM1
SCHEMBL22962321 0.90 OPRK1 (0.77) OPRK1OPRM1
SCHEMBL11931521 0.90 OPRK1 (0.77) OPRK1OPRM1
SCHEMBL11932331 0.90 OPRK1 (0.71) OPRK1OPRM1
SCHEMBL24001220 0.89 OPRK1 (0.75) OPRK1OPRM1
SCHEMBL11932334 0.89 OPRK1 (0.75) OPRK1OPRM1
SCHEMBL24360667 0.89 OPRK1 (0.75) OPRK1OPRM1
SCHEMBL22962056 0.89 OPRK1 (0.75) OPRK1OPRM1
SCHEMBL28849604 0.89 OPRK1 (0.75) OPRK1OPRM1

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
WO-2021026492-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS Humanwell Pharmaceutical US (US) 2021-02-11 — — WO disclosed
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