SCHEMBL6992774

SCHEMBL6992774

Nc1cccc(N2CCOCC2)c1.Nc1cccc(N2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.61
LMNA P02545 2/20 0.61
AGXT P21549 1/20 0.58
LGMN Q99538 2/20 0.58
KMO O15229 1/20 0.57
DHFR P00374 1/20 0.54
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.51
ALOX12 P18054 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.50
HTT P42858 1/20 0.50
JAK2 O60674 1/20 0.48
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL224567 1.00 ADRA2C (0.61) ADRA2CLMNAAGXTLGMNKMO
SCHEMBL29371026 1.00 ADRA2C (0.61) ADRA2CLMNAAGXTLGMNKMO
Hydrochloric Acid SCHEMBL14742169 0.98 ADRA2C (0.59) ADRA2CLMNAAGXTLGMNKMO
SCHEMBL14320394 0.89 AGXT (0.56) ADRA2CLMNAAGXTLGMNKMO
SCHEMBL30706470 0.89 ADRA2C (0.53) ADRA2CLMNAAGXTLGMNKMO
SCHEMBL27329825 0.87 LMNA (0.71) LMNAAGXTLGMNKMODHFR
SCHEMBL6942579 0.85 ADRA2C (0.80) ADRA2CLMNAAGXTMAPTSMN1; SMN2
SCHEMBL14320480 0.84 JAK2 (0.55) LMNAAGXTLGMNKMOMAPT
SCHEMBL521012 0.84 AOC3 (0.55) ADRA2CLMNAAGXTLGMNKMO
SCHEMBL2627250 0.83 ADRA2C (0.71) ADRA2CLMNAMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed