SCHEMBL8091894

SCHEMBL8091894

CCON(C)CC1CC=CC2CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.38
NR1H2 P55055 1/20 0.36
NAMPT P43490 1/20 0.34
JAK1 P23458 2/20 0.33
JAK2 O60674 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
USP30 Q70CQ3 2/20 0.30

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
SCHEMBL8083132 0.81 NR1H2 (0.48) JAK3NR1H2NAMPT
SCHEMBL8090935 0.81 NR1H2 (0.42) JAK3NR1H2NAMPTDDB1CRBN
SCHEMBL8203269 0.80 NR1H2 (0.37) JAK3NR1H2NAMPT
SCHEMBL8083216 0.80 NAMPT (0.38) JAK3NR1H2NAMPTGPR119
SCHEMBL8200316 0.73 NR1H2 (0.37) JAK3NR1H2NAMPTGPR119
SCHEMBL8083678 0.73 NR1H2 (0.40) JAK3NR1H2NAMPTGPR119USP30
SCHEMBL8092844 0.72 JAK3 (0.39) JAK3NR1H2NAMPTGPR119USP30
SCHEMBL8091226 0.72 NR1H2 (0.38) JAK3NR1H2NAMPT
SCHEMBL8201202 0.71 NR1H2 (0.38) JAK3NR1H2NAMPTGPR119USP30
SCHEMBL30954888 0.70 NR1H2 (0.51) NR1H2NAMPTJAK1JAK2GPR119

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
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed