SCHEMBL29666643

SCHEMBL29666643

CC(C)(C)OC(=O)N1CCCC(NS(C)(=O)=O)C1CO[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.57

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
SCHEMBL29666629 0.92 HCRTR2 (0.48) HCRTR2
SCHEMBL23391530 0.83 HCRTR2 (0.39) HCRTR2
SCHEMBL31034884 0.82 HCRTR2 (0.38) HCRTR2
SCHEMBL23391502 0.80 HCRTR2 (0.43) HCRTR2
SCHEMBL29714596 0.80 HCRTR2 (0.43) HCRTR2
SCHEMBL29666709 0.79 HCRTR2 (0.70) HCRTR2
SCHEMBL29666638 0.79 HCRTR2 (0.61) HCRTR2
SCHEMBL12821615 0.77 GPR119 (0.54)
SCHEMBL26185985 0.77 HCRTR2 (0.52) HCRTR2
SCHEMBL29666668 0.75 HCRTR2 (0.47) HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247801-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-27 EP disclosed
WO-2022109117-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed