SCHEMBL29768089

SCHEMBL29768089

Cc1nn(C2CCC(=O)NC2=O)c2cccc(OC3CC(OC4CCNCC4)C3)c12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 17/20 0.42
▸ CRBN Q96SW2 17/20 0.42
▸ IKZF3 Q9UKT9 3/20 0.36
▸ TNF P01375 1/20 0.36
▸ IL1B P01584 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ SLC6A2 P23975 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
SCHEMBL29079658 1.00 DDB1 (0.42) DDB1CRBNIKZF3TNFIL1B
Trifluoroacetic Acid SCHEMBL29079572 0.93 DDB1 (0.38) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29079608 0.89 CRBN (0.39) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29768029 0.87 CRBN (0.37) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29079553 0.84 KDM1A (0.42) DDB1CRBN
SCHEMBL29079606 0.80 CRBN (0.39) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29768100 0.77 CRBN (0.41) DDB1CRBNIKZF3TNFALDH1A1
SCHEMBL29079635 0.77 CRBN (0.41) DDB1CRBNIKZF3TNFALDH1A1
SCHEMBL31134471 0.76 DDB1 (0.47) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29767993 0.75 CRBN (0.50) DDB1CRBNIKZF3TNFIL1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116648248-B Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2025-04-15 — — CN disclosed
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 — — CN disclosed
WO-2022161414-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATION THEREOF 成都茵创园医药科技有限公司 2022-08-04 — — WO disclosed
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