SCHEMBL30351702

SCHEMBL30351702

O=C1CCC(N2Cc3cc(N4C5CNCC4C5)cc(F)c3C2)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.48
▸ DDB1 Q16531 3/20 0.36
▸ TNF P01375 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ IKZF3 Q9UKT9 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30352312 0.95 CRBN (0.49) CRBNDDB1TNFALDH1A1CHRM2
SCHEMBL30351688 0.84 CRBN (0.47) CRBNDDB1TNFALDH1A1CHRM2
SCHEMBL26095353 0.84 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30351999 0.84 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30351821 0.83 CRBN (0.50) CRBNDDB1TNFALDH1A1CHRM2
SCHEMBL30351756 0.82 CRBN (0.50) CRBNDDB1TNFALDH1A1CHRM2
SCHEMBL31033555 0.81 CRBN (0.47) CRBNDDB1TNF
SCHEMBL26447701 0.81 CRBN (0.47) CRBNDDB1TNF
SCHEMBL30351897 0.80 CRBN (0.50) CRBNDDB1TNFALDH1A1CHRM2
SCHEMBL30352168 0.80 CRBN (0.47) CRBNDDB1

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-2023066350-A1 CRBN E3 LIGASE LIGAND COMPOUND, PROTEIN DEGRADING AGENT DEVELOPED ON THE BASIS OF LIGAND COMPOUND, AND THEIR APPLICATIONS 标新生物医药科技(上海)有限公司 2023-04-27 — — WO claimed
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