SCHEMBL11205141

SCHEMBL11205141

O=C1c2ccccc2C(=O)N1[C@H]1CCC(=O)N2CCCCN2C1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 15/20 0.50
DDB1 Q16531 13/20 0.50
IKZF3 Q9UKT9 2/20 0.50
CHRM2 P08172 2/20 0.50
ALDH1A1 P00352 1/20 0.50
OPRM1 P35372 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TNF P01375 1/20 0.39
IL1B P01584 1/20 0.39
TBXA2R P21731 1/20 0.39
IKZF1 Q13422 1/20 0.39
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36

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
SCHEMBL5154520 0.79 ACE (0.51) CRBNDDB1IKZF3CHRM2ALDH1A1
SCHEMBL5154587 0.79 ACE (0.51) CRBNDDB1IKZF3CHRM2ALDH1A1
SCHEMBL5154528 0.79 ACE (0.51) CRBNDDB1IKZF3CHRM2ALDH1A1
SCHEMBL5158143 0.79 ACE (0.51) CRBNDDB1IKZF3CHRM2ALDH1A1
SCHEMBL5154165 0.79 ACE (0.51) CRBNDDB1IKZF3CHRM2ALDH1A1
SCHEMBL13364982 0.77 CRBN (0.54) CRBNDDB1IKZF3CHRM2ALDH1A1
SCHEMBL13271120 0.77 CRBN (0.54) CRBNDDB1IKZF3CHRM2ALDH1A1
SCHEMBL27861219 0.77 CRBN (0.54) CRBNDDB1IKZF3CHRM2ALDH1A1
SCHEMBL5507404 0.77 CRBN (0.54) CRBNDDB1IKZF3CHRM2ALDH1A1
SCHEMBL845548 0.77 CRBN (0.54) CRBNDDB1IKZF3CHRM2ALDH1A1

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-0094095-A2 Bicyclic carboxylic acids and their alkyl and aralkyl esters F. HOFFMANN-LA ROCHE AG (CH) 1983-11-16 EP disclosed