SCHEMBL31034871

SCHEMBL31034871

CC(C)(C)OC(=O)N1CCCC(O)C1COC1CCC(OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.58
KLK7 P49862 1/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
STS P08842 1/20 0.41

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
SCHEMBL31034880 0.85 HCRTR2 (0.53) HCRTR2KLK7MEN1KMT2A
SCHEMBL29997420 0.82 KLK7 (0.51) HCRTR2KLK7MEN1KMT2ASTS
SCHEMBL25698309 0.82 KLK7 (0.51) HCRTR2KLK7MEN1KMT2ASTS
SCHEMBL22023249 0.81 HCRTR2 (0.67) HCRTR2
SCHEMBL22023229 0.81 HCRTR2 (0.67) HCRTR2
SCHEMBL22023250 0.81 HCRTR2 (0.67) HCRTR2
SCHEMBL22023228 0.81 HCRTR2 (0.67) HCRTR2
SCHEMBL31701983 0.81 HCRTR2 (0.49) HCRTR2KLK7MEN1KMT2ASTS
SCHEMBL31035159 0.81 KLK7 (0.49) HCRTR2KLK7MEN1KMT2ASTS
SCHEMBL7301938 0.81 KLK7 (0.47) HCRTR2KLK7STS

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-4658660-A1 MACROCYCLIC OREXIN RECEPTOR AGONISTS AND USES THEREOF Jazz Pharmaceuticals Ireland Limited (IE) 2025-12-10 EP disclosed
WO-2024160822-A1 MACROCYCLIC OREXIN RECEPTOR AGONISTS AND USES THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-08-08 WO disclosed