SCHEMBL31661175

SCHEMBL31661175

O=C1CCC2(COc3cc(C4CCNCC4)ccc32)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
QDPR P09417 1/20 0.36
MAPKAPK2 P49137 2/20 0.34
HTR6 P50406 3/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
DRD3 P35462 1/20 0.33
HTR2C P28335 4/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL31661181 0.77 DDB1 (0.49) DDB1CRBN
SCHEMBL31661169 0.77 MAPKAPK2 (0.38) DDB1CRBNMAPKAPK2HTR6DRD3
SCHEMBL31661205 0.70 QDPR (0.38) QDPRHTR6HTR2CSLC18A3SIGMAR1
SCHEMBL31661222 0.68 HTR3E (0.34) DRD3
SCHEMBL24881330 0.66 HTR2C (0.42) DDB1CRBNQDPRHTR2CSLC18A3
SCHEMBL27039554 0.66 CRBN (0.41) DDB1CRBNQDPRHTR2CSLC18A3
SCHEMBL29197784 0.66 DDB1 (0.41) DDB1CRBNQDPRHTR2CSLC18A3
SCHEMBL27073454 0.66 HTR2C (0.42) DDB1CRBNQDPRHTR2CSLC18A3
SCHEMBL23411561 0.66 EPHX2 (0.64) EPHX2QDPRHTR6
SCHEMBL5584682 0.66 QDPR (0.47) QDPRHTR6DRD3HTR2CSLC18A3

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-2025151602-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-17 WO disclosed