SCHEMBL7995808

SCHEMBL7995808

CCN(Oc1cccc(Cn2ccnc2N)c1C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
MCL1 Q07820 1/20 0.33
HSP90AA1 P07900 6/20 0.33
HSP90B1 P14625 6/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
P2RX3 P56373 1/20 0.32
BRD4 O60885 1/20 0.32
TLR8 Q9NR97 1/20 0.30
F2 P00734 1/20 0.30
TYMP P19971 1/20 0.30
TBXAS1 P24557 1/20 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
SCHEMBL7995803 0.78 SCN9A (0.44) BRD4
SCHEMBL8001602 0.72 ALDH1A1 (0.38) HSP90AA1HSP90B1
SCHEMBL16935872 0.70 L3MBTL1 (0.38)
SCHEMBL4612193 0.67 ITGA4 (0.41)
SCHEMBL28854691 0.63 CYP17A1 (0.37) F2
SCHEMBL28941159 0.63 PAX8 (0.36)
SCHEMBL7983691 0.62 LMNA (0.38) OPRK1MCL1F2TYMP
SCHEMBL7833383 0.61 CYP2D6 (0.37) HSP90AA1HSP90B1BRD4
SCHEMBL18914289 0.61 KMT2A (0.61)
SCHEMBL28941291 0.61 S100B (0.38)

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed