SCHEMBL7307865

SCHEMBL7307865

COc1ccc(CN2CCN(Cc3coc4ccccc4c3=O)CC2)c(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.62
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 7/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
HTR1A P08908 1/20 0.53
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51
SLC6A4 P31645 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
TSHR P16473 2/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.50
APOBEC3A P31941 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL12325717 0.80 SIGMAR1 (0.76) SIGMAR1ALDH1A1HTR1ATSHRRAB9A
SCHEMBL12325748 0.80 SIGMAR1 (0.76) SIGMAR1KDM4EALDH1A1KMT2AHTR1A
SCHEMBL7294373 0.78 SIGMAR1 (0.60) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL28298203 0.78 CHRM2 (0.79) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7295692 0.77 SIGMAR1 (1.00) SIGMAR1ALDH1A1MEN1KMT2AHTR1A
SCHEMBL8946079 0.77 SIGMAR1 (0.67) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL12325670 0.77 SIGMAR1 (0.75) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL12325719 0.75 SIGMAR1 (0.69) SIGMAR1KDM4EALDH1A1HTR1ATSHR
SCHEMBL18177883 0.74 MEN1 (0.70) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7304070 0.74 SIGMAR1 (0.70) SIGMAR1KDM4EALDH1A1HTR1ATSHR

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 disclosed
EP-0580503-A1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 EP disclosed