SCHEMBL10693837

SCHEMBL10693837

COc1cccc2cc3cccc(OC)c3c(OCCCCN3C(=O)c4ccccc4C3=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.52
HEXB P07686 1/20 0.52
DRD2 P14416 3/20 0.52
DRD3 P35462 2/20 0.52
HTR1A P08908 2/20 0.51
HTR7 P34969 2/20 0.51
HTR2A P28223 1/20 0.51
HTR6 P50406 1/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX12 P18054 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL10694048 0.85 HPGD (0.51) HEXAHEXBALDH1A1CYP3A4CYP2D6
SCHEMBL14121833 0.79 TSHR (0.66) HEXAHEXBDRD2HTR1AHTR7
SCHEMBL11022908 0.79 MAOB (0.56) DRD2HTR1AHTR7BCHEACHE
SCHEMBL10694245 0.78 RAB9A (0.54) HEXAHEXBCYP2D6HSD17B10HPGD
SCHEMBL10691771 0.78 HPGD (0.46) DRD2ALDH1A1CYP3A4CYP2D6ALOX12
SCHEMBL10665907 0.78 RAB9A (0.64) ALDH1A1MEN1KMT2AMAOBHPGD
SCHEMBL10688822 0.78 SMN1; SMN2 (0.53) ALDH1A1MEN1CYP2D6KMT2AHPGD
SCHEMBL10692842 0.77 MAPT (0.52) CYP2D6HSD17B10HPGDSMN1; SMN2L3MBTL1
SCHEMBL10695966 0.77 MAPT (0.52) CYP2D6HSD17B10HPGDSMN1; SMN2L3MBTL1
SCHEMBL10696014 0.77 MAPT (0.52) CYP2D6HSD17B10HPGDSMN1; SMN2L3MBTL1

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
US-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed