SCHEMBL10695028

SCHEMBL10695028

c1ccc2c(OCCCCN3CCCCC3)c3ccccc3cc2c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.64
HTR2A P28223 2/20 0.64
HTR7 P34969 2/20 0.64
HTR6 P50406 2/20 0.64
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNH2 Q12809 1/20 0.52
HRH4 Q9H3N8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL10688459 0.97 HRH3 (0.64) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL10693530 0.94 TDP1 (0.58) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL10694755 0.86 MEN1 (0.64) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL10687788 0.86 ALDH1A1 (0.53) TDP1ALDH1A1CYP2D6
SCHEMBL10694843 0.85 HRH3 (0.50) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL10694180 0.84 TDP1 (0.49) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL10694866 0.81 MAPK1 (0.55) HRH3TDP1ALDH1A1MEN1KMT2A
SCHEMBL11162957 0.79 TSHR (0.58) TDP1
SCHEMBL8780187 0.78 TDP1 (1.00) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL10695772 0.78 SLC6A4 (0.47) HRH3HTR2AHTR7HTR6TDP1

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