SCHEMBL22840004

SCHEMBL22840004

C=C1c2cc(C(C)C)ccc2CN1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NR1H3 Q13133 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
HIF1A Q16665 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
SCHEMBL26711864 0.87 NPSR1 (0.43) LMNAHPGDGFERHSD17B10NPSR1
SCHEMBL24109490 0.80 HSD17B10 (0.44) LMNAHPGDGFERHSD17B10NR1H3
SCHEMBL10256676 0.75 THRB (0.39) LMNAHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL25023354 0.74 NPSR1 (0.38) LMNAHPGDGFERHSD17B10NPSR1
SCHEMBL21377208 0.72 NPSR1 (0.41) LMNAHPGDGFERHSD17B10NPSR1
SCHEMBL27308545 0.71 KCNH2 (0.30)
SCHEMBL13244532 0.70 KCNH2 (0.44) LMNAHPGDGFERHSD17B10NPSR1
SCHEMBL2741636 0.69 HSP90AA1 (0.38) LMNAHPGDGFERHSD17B10NPSR1
SCHEMBL19416297 0.68 LMNA (0.44) LMNAHPGDGFERHSD17B10NPSR1
SCHEMBL12545835 0.68 HPGD (0.45) LMNAHPGDGFERHSD17B10NPSR1

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-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed