SCHEMBL31035005

SCHEMBL31035005

C[C@@H]1CC(=O)C(CO[C@H]2CC[C@@H](c3ccccc3OCc3ccccc3)CC2)N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.42
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GPR119 Q8TDV5 8/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PRMT5 O14744 1/20 0.37
STS P08842 1/20 0.36
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35
PTGS2 P35354 1/20 0.35
CCR8 P51685 1/20 0.35
YAP1 P46937 1/20 0.35

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
SCHEMBL29714609 0.90 GPR119 (0.40) HCRTR2GPR119SSTR1SSTR4
SCHEMBL30674679 0.85 HCRTR2 (0.46) HCRTR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL31035010 0.85 HCRTR2 (0.44) HCRTR2GPR119
SCHEMBL31484574 0.84 HCRTR2 (0.43) HCRTR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL27281206 0.84 HCRTR2 (0.43) HCRTR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL27281217 0.79 GHSR (0.42) HCRTR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL31484582 0.79 GHSR (0.42) HCRTR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL31702741 0.79 KMT2A (0.41) HCRTR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL30674546 0.78 MEN1 (0.40) HCRTR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL29939732 0.78 HCRTR2 (0.66) 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-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