SCHEMBL31329286

SCHEMBL31329286

O=C(C1CCCc2ccccc21)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 8/20 0.64
DDB1 Q16531 1/20 0.58
F2 P00734 1/20 0.48
F12 P00748 1/20 0.48
KCNQ2 O43526 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL21496509 0.80 CRBN (0.62) CRBNDDB1F2F12
SCHEMBL27261538 0.80 HTT (0.51) CRBNTSHRHTT
SCHEMBL21484134 0.79 CRBN (1.00) CRBNDDB1F2F12
SCHEMBL21484127 0.79 CRBN (1.00) CRBNDDB1F2F12OPRM1
SCHEMBL31391107 0.79 CRBN (1.00) CRBNDDB1F2F12OPRM1
SCHEMBL23244238 0.79 ME2 (0.51) CRBNDDB1F2F12HTT
SCHEMBL21484136 0.79 CRBN (1.00) CRBNDDB1F2F12
SCHEMBL21484146 0.79 CRBN (1.00) CRBNDDB1F2F12
SCHEMBL21484125 0.79 CRBN (1.00) CRBNDDB1F2F12OPRM1
SCHEMBL21484155 0.79 CRBN (1.00) CRBNDDB1F2F12OPRM1

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-2025041809-A1 METHOD FOR PRODUCING DEUTERATED COMPOUND 国立大学法人九州大学 2025-02-27 WO disclosed