SCHEMBL30459906

SCHEMBL30459906

O=C1CCC(N2Cc3ccc(CN4CC5CC4CN5)cc3C2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.53
▸ P2RX7 Q99572 1/20 0.40
▸ LTA4H P09960 1/20 0.36
▸ DDB1 Q16531 4/20 0.36
▸ IKZF3 Q9UKT9 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CHRM3 P20309 1/20 0.35

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
SCHEMBL30458550 0.92 CRBN (0.53) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL25646993 0.84 CRBN (0.55) CRBNDDB1IKZF3
SCHEMBL30460171 0.84 CRBN (0.55) CRBNDDB1IKZF3
SCHEMBL30459627 0.84 CRBN (0.55) CRBNDDB1IKZF3
SCHEMBL30459121 0.82 CRBN (0.53) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30458338 0.82 CRBN (0.54) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30351657 0.81 CRBN (0.56) CRBNDDB1
SCHEMBL30458500 0.81 CRBN (0.55) CRBNDDB1IKZF3
SCHEMBL25647153 0.80 CRBN (0.54) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30459032 0.79 CRBN (0.55) CRBNDDB1IKZF3

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO claimed
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