SCHEMBL6776864

SCHEMBL6776864

c1ccc2cc(COc3ccc4[nH]ccc4c3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
MAOA P21397 2/20 0.56
MAOB P27338 1/20 0.56
LTA4H P09960 2/20 0.54
PLA2G2A P14555 1/20 0.54
RAB9A P51151 3/20 0.51
MRGPRX4 Q96LA9 1/20 0.48
NPC1 O15118 3/20 0.47
MAPT P10636 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL31188635 1.00 ALOX5 (0.57) ALOX5MAOAMAOBLTA4HPLA2G2A
SCHEMBL329575 0.86 ALOX5 (0.62) ALOX5MAOAMAOBLTA4HPLA2G2A
Indole SCHEMBL15320969 0.85 ALOX5 (0.61) ALOX5MAOAMAOBLTA4HPLA2G2A
SCHEMBL12938497 0.84 ALOX5 (0.78) ALOX5MAOAMAOBLTA4HPLA2G2A
SCHEMBL9525385 0.82 ALOX5 (0.53) ALOX5MAOAMAOBRAB9ANPC1
SCHEMBL19234842 0.81 MAOB (0.56) ALOX5MAOAMAOBLTA4H
SCHEMBL25422318 0.81 AHR (0.54) MAOAMAOBLTA4H
SCHEMBL30488431 0.81 AHR (0.54) MAOAMAOBLTA4H
SCHEMBL14543024 0.81 NR4A2 (0.54) MAOAMAOBLTA4HHDAC1
SCHEMBL30376216 0.81 MAOB (0.47) MAOAMAOBLTA4HRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230216-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP claimed
WO-2001032619-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 WO claimed
US-6750242-B1 Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2004-06-15 US disclosed
EP-1230216-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP disclosed
WO-2001032619-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 WO disclosed