SCHEMBL10693530

SCHEMBL10693530

c1ccc2c(OCCCN3CCCC3)c3ccccc3cc2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 2/20 0.56
HRH3 Q9Y5N1 12/20 0.56
HTR2A P28223 2/20 0.56
HTR7 P34969 2/20 0.56
HTR6 P50406 2/20 0.56
ACP1 P24666 1/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
HRH1 P35367 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GCGR P47871 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL10695028 0.94 HRH3 (0.64) TDP1ALDH1A1HRH3HTR2AHTR7
SCHEMBL10688459 0.94 HRH3 (0.64) TDP1ALDH1A1HRH3HTR2AHTR7
SCHEMBL10694180 0.89 TDP1 (0.49) TDP1ALDH1A1HRH3HTR2AHTR7
SCHEMBL10694866 0.87 MAPK1 (0.55) TDP1ALDH1A1HRH3KDM4E
SCHEMBL10694755 0.82 MEN1 (0.64) TDP1ALDH1A1HRH3HTR2AHTR7
SCHEMBL10687788 0.82 ALDH1A1 (0.53) TDP1ALDH1A1CYP2D6KDM4ESMN1; SMN2
SCHEMBL10694843 0.81 HRH3 (0.50) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL11169002 0.80 POLB (0.60) TDP1ALDH1A1CYP2D6CYP2C19
SCHEMBL10692945 0.79 DRD3 (0.47) ALDH1A1HRH3HTR2AHTR7KDM4E
SCHEMBL11162957 0.78 TSHR (0.58) TDP1HRH1

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