SCHEMBL14601082

SCHEMBL14601082

NCc1cccc2c1C(=O)N(C1CCC(=O)OC1=O)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 17/20 0.44
CRBN Q96SW2 17/20 0.44
IKZF3 Q9UKT9 2/20 0.44
TNF P01375 1/20 0.44
IL1B P01584 1/20 0.44
TBXA2R P21731 1/20 0.44
IKZF1 Q13422 1/20 0.44
ALDH1A1 P00352 1/20 0.37
CHRM2 P08172 1/20 0.37
OPRM1 P35372 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2B P41595 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34

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
SCHEMBL13464214 0.88 DDB1 (0.43) DDB1CRBNIKZF3TNFIL1B
SCHEMBL10074225 0.85 DDB1 (0.61) DDB1CRBNIKZF3TNFIL1B
SCHEMBL23575795 0.82 DDB1 (0.44) DDB1CRBNIKZF3TNFIL1B
SCHEMBL7284377 0.80 CRBN (0.55) DDB1CRBNIKZF3TNFIL1B
SCHEMBL410243 0.80 CRBN (0.55) DDB1CRBNIKZF3TNFIL1B
SCHEMBL410700 0.80 CRBN (0.55) DDB1CRBNIKZF3TNFIL1B
SCHEMBL442296 0.80 CRBN (0.55) DDB1CRBNIKZF3TNFIL1B
SCHEMBL5635300 0.78 DDB1 (0.73) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29922269 0.78 DDB1 (0.73) DDB1CRBNIKZF3TNFIL1B
SCHEMBL476975 0.78 DDB1 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767533-A1 N-{(2-(2,6-dioxo(3-piperidyl)-1,3-dioxo-2,3-dihydro-1H-isoindolin-4-yl)methyl}cyclopropylcarboxamide as TNF inhibitor CELGENE CORPORATION (US) 2007-03-28 EP disclosed