SCHEMBL7300240

SCHEMBL7300240

O=c1cc(CN2CCN(CC3Oc4ccccc4O3)CC2)oc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.69
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
PPARG P37231 1/20 0.46
ACHE P22303 2/20 0.46
HTR2B P41595 4/20 0.44
HTR1A P08908 3/20 0.44
MAOB P27338 2/20 0.43
ACE P12821 1/20 0.41
ECE1 P42892 1/20 0.41
PRKDC P78527 1/20 0.41
BCHE P06276 1/20 0.41
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
DRD2 P14416 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7305898 0.83 SIGMAR1 (0.77) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7294524 0.82 SIGMAR1 (0.76) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7299921 0.82 SIGMAR1 (1.00) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7299989 0.81 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL17237763 0.81 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7298240 0.81 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL3605597 0.80 SIGMAR1 (0.76) SIGMAR1CYP11B1CYP11B2PPARGHTR1A
SCHEMBL7308430 0.79 SIGMAR1 (0.71) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7297159 0.78 SIGMAR1 (0.81) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7302267 0.78 SIGMAR1 (0.71) SIGMAR1CYP11B1CYP11B2PPARGACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580503-B1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR (FR) 1995-06-14 EP claimed
EP-0580503-A1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 EP claimed