SCHEMBL30985209

SCHEMBL30985209

CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc4cn[nH]c(=O)c4c3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.56
ACACB O00763 9/20 0.55
PARP1 P09874 5/20 0.44
TNKS O95271 3/20 0.44
TNKS2 Q9H2K2 3/20 0.44
SCD5 Q86SK9 1/20 0.44
SPR P35270 1/20 0.40
NAMPT P43490 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL30984892 0.93 ACACB (0.55) CYP11B2ACACBPARP1TNKSTNKS2
SCHEMBL25141632 0.87 MAPT (0.48) ACACBPARP1NAMPT
SCHEMBL25141523 0.79 MAPT (0.48) ACACBNAMPT
SCHEMBL484899 0.79 CYP11B2 (0.60) CYP11B2ACACBSCD5NAMPTCYP11B1
SCHEMBL30769248 0.74 CYP11B2 (0.55) CYP11B2ACACBSCD5
SCHEMBL485607 0.74 HDAC2 (0.58) CYP11B2ACACBSCD5
SCHEMBL484886 0.74 CYP11B2 (0.55) CYP11B2SCD5
SCHEMBL484102 0.74 HIF1A (0.63) CYP11B2
SCHEMBL30484800 0.74 CYP11B2 (0.56) CYP11B2ACACBSCD5
SCHEMBL25885002 0.74 CYP11B2 (0.56) CYP11B2ACACBSCD5

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-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 WO disclosed