SCHEMBL31035159

SCHEMBL31035159

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.49
HCRTR2 O43614 2/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 1/20 0.41
STS P08842 1/20 0.40
GHSR Q92847 4/20 0.40
ABCB1 P08183 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
FKBP1A P62942 1/20 0.39
PRMT5 O14744 2/20 0.39
BCHE P06276 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL31702739 0.94 KLK7 (0.46) KLK7HCRTR2MEN1KMT2APARP1
SCHEMBL29177532 0.90 PARP1 (0.47) KLK7HCRTR2MEN1KMT2APARP1
SCHEMBL29177530 0.88 HCRTR2 (0.61) HCRTR2GPR119
SCHEMBL29177533 0.88 HCRTR2 (0.61) HCRTR2GPR119
SCHEMBL30674679 0.88 HCRTR2 (0.46) KLK7HCRTR2GHSRPRMT5GPR119
SCHEMBL29229139 0.86 KLK7 (0.46) KLK7HCRTR2MEN1KMT2APARP1
SCHEMBL29229186 0.86 KLK7 (0.46) KLK7HCRTR2MEN1KMT2APARP1
SCHEMBL31484612 0.84 HCRTR2 (0.44) KLK7HCRTR2STSGHSRPRMT5
SCHEMBL30674574 0.83 HCRTR2 (0.51) HCRTR2GPR119
SCHEMBL973127 0.82 KLK7 (0.49) KLK7PARP1STSPSEN1PSEN2

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