SCHEMBL5501922

SCHEMBL5501922

O=C1c2cccc(Br)c2CN1C1NC2CCC1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 4/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ IKZF3 Q9UKT9 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ IL1B P01584 1/20 0.38
▸ IKZF1 Q13422 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ CDK4 P11802 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ HTR2A P28223 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
SCHEMBL5503804 0.83 CDK4 (0.40) CRBNMAPK1IKZF3BRD4TNF
SCHEMBL5494260 0.79 PARP1 (0.39) CRBNHTR2AHTR2CHTR2BALDH1A1
SCHEMBL31184577 0.75 MAPK1 (0.46) CRBNMAPK1IKZF3BRD4TNF
SCHEMBL31185072 0.74 MAPK1 (0.49) CRBNMAPK1IKZF3BRD4TNF
SCHEMBL4074335 0.74 HTR3A (0.58) HTR3A
Hydrochloric Acid SCHEMBL31184864 0.72 HTR2B (0.48) CRBNMAPK1IKZF3BRD4TNF
SCHEMBL19611963 0.72 CRBN (0.47) CRBNMAPK1IKZF3BRD4TNF
SCHEMBL19611961 0.72 CRBN (0.47) CRBNMAPK1IKZF3BRD4TNF
SCHEMBL22733298 0.70 CRBN (0.49) CRBNMAPK1IKZF3BRD4TNF
SCHEMBL31727974 0.70 CRBN (0.75) CRBNIKZF3BRD4TNFIL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737854-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AstraZeneca AB (SE) 2007-01-03 — — EP claimed
WO-2005100351-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ASTRAZENECA AB (SE) 2005-10-27 — — WO claimed
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