SCHEMBL30984768

SCHEMBL30984768

O=C1CCC(N2C(=O)c3ccc(-c4cnn(C5CCNCC5)c4)cc3C2=O)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.53
▸ DDB1 Q16531 11/20 0.53
▸ CYP1A2 P05177 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ IKZF3 Q9UKT9 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CYP3A4 P08684 2/20 0.46
▸ CYP3A5 P20815 2/20 0.46
▸ CYP3A7 P24462 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ PDK4 Q16654 2/20 0.46
▸ CYP3A43 Q9HB55 2/20 0.46
▸ ALK Q9UM73 1/20 0.45

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
SCHEMBL30984869 0.84 CRBN (0.55) CRBNDDB1
SCHEMBL30984956 0.84 CRBN (0.55) CRBNDDB1
SCHEMBL31187519 0.77 CRBN (0.72) CRBNDDB1CYP1A2ALDH1A1CHRM2
SCHEMBL30566407 0.76 CRBN (0.60) CRBNDDB1CYP1A2ALDH1A1CHRM2
SCHEMBL26057911 0.76 CRBN (0.60) CRBNDDB1CYP1A2ALDH1A1CHRM2
SCHEMBL20235033 0.75 CRBN (0.56) CRBN
SCHEMBL30984737 0.75 CRBN (0.51) CRBN
SCHEMBL29370530 0.74 CRBN (0.64) CRBNDDB1CYP1A2ALDH1A1CHRM2
SCHEMBL20046326 0.74 CRBN (0.64) CRBNDDB1CYP1A2ALDH1A1CHRM2
SCHEMBL21410808 0.74 DDB1 (0.55) CRBNDDB1CYP1A2ALDH1A1CHRM2

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
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