SCHEMBL29079606

SCHEMBL29079606

Cc1nn(C2CCC(=O)NC2=O)c2cccc(OC3(COC4CCNCC4)CCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 20/20 0.39
▸ DDB1 Q16531 19/20 0.39
▸ IKZF3 Q9UKT9 4/20 0.34
▸ TNF P01375 1/20 0.33
▸ IL1B P01584 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ OPRM1 P35372 1/20 0.31

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
SCHEMBL29079608 0.82 CRBN (0.39) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29079658 0.80 DDB1 (0.42) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29768089 0.80 DDB1 (0.42) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29767997 0.79 CRBN (0.41) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29079558 0.78 CRBN (0.40) CRBNDDB1IKZF3TNFIL1B
Hydrochloric Acid SCHEMBL29079654 0.77 CRBN (0.40) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29079635 0.75 CRBN (0.41) CRBNDDB1IKZF3TNFALDH1A1
SCHEMBL29768100 0.75 CRBN (0.41) CRBNDDB1IKZF3TNFALDH1A1
SCHEMBL31134471 0.73 DDB1 (0.47) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29079566 0.72 CRBN (0.50) CRBNDDB1IKZF3TNFIL1B

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
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
Send feedback