SCHEMBL7302267

SCHEMBL7302267

O=c1cc(CN2CCC(c3ccccc3)CC2)oc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.71
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
MAOB P27338 2/20 0.51
PPARG P37231 1/20 0.49
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
ACHE P22303 4/20 0.47
BCHE P06276 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DRD3 P35462 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
ABCB1 P08183 1/20 0.45
PARP1 P09874 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2B P41595 1/20 0.44
PARP2 Q9UGN5 1/20 0.44

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
SCHEMBL7297519 0.83 SIGMAR1 (1.00) SIGMAR1MAOBPPARGACHEBCHE
SCHEMBL7305898 0.83 SIGMAR1 (0.77) SIGMAR1MAOBPPARGCYP11B1CYP11B2
SCHEMBL7299921 0.82 SIGMAR1 (1.00) SIGMAR1DRD2DRD4MAOBPPARG
SCHEMBL7298240 0.81 SIGMAR1 (0.75) SIGMAR1MAOBPPARGCYP11B1CYP11B2
SCHEMBL17237763 0.81 SIGMAR1 (0.75) SIGMAR1MAOBPPARGCYP11B1CYP11B2
SCHEMBL7299989 0.81 SIGMAR1 (0.75) SIGMAR1MAOBPPARGCYP11B1CYP11B2
SCHEMBL3605597 0.80 SIGMAR1 (0.76) SIGMAR1DRD2DRD4PPARGCYP11B1
SCHEMBL7308430 0.79 SIGMAR1 (0.71) SIGMAR1MAOBPPARGCYP11B1CYP11B2
SCHEMBL7294524 0.79 SIGMAR1 (0.76) SIGMAR1DRD2PPARGCYP11B1CYP11B2
SCHEMBL7300240 0.78 SIGMAR1 (0.69) SIGMAR1DRD2MAOBPPARGCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632035-B1 Aminoalkylchomones, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP disclosed
US-5519023-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-05-21 US disclosed
EP-0632035-A1 Aminoalkylchomones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-01-04 EP disclosed
EP-0580503-A1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 EP disclosed