SCHEMBL10696007

SCHEMBL10696007

Cc1cccc2c(OCCCCN)c3ccccc3cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.45
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.36
SLC6A4 P31645 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KCNA3 P22001 2/20 0.35
SCN8A Q9UQD0 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR2A P28223 1/20 0.34
KCNA5 P22460 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL10692538 0.87 ALDH1A1 (0.42) HTR1BALDH1A1CYP1A2CYP2A6HPGD
SCHEMBL10693274 0.86 HTR1B (0.47) HTR1BALDH1A1CYP1A2CYP2A6HPGD
SCHEMBL10690407 0.85 HTR1B (0.56) HTR1BKCNA3HTR2ASSTR2SSTR4
SCHEMBL10692959 0.83 HTR1B (0.56) HTR1BALDH1A1CYP1A2CYP2A6HPGD
SCHEMBL10692940 0.83 HTR1B (0.54) HTR1BALDH1A1CYP1A2HSD17B10KCNA3
SCHEMBL10688833 0.83 HTR1B (0.54) HTR1BALDH1A1CYP1A2HSD17B10KCNA3
SCHEMBL10692231 0.83 HTR1B (0.54) HTR1BALDH1A1CYP1A2HSD17B10KCNA3
SCHEMBL10695724 0.83 HTR1B (0.54) HTR1BALDH1A1CYP1A2HSD17B10KCNA3
SCHEMBL10693528 0.83 HTR1B (0.54) HTR1BALDH1A1CYP1A2HSD17B10KCNA3
SCHEMBL10692059 0.83 HTR1B (0.54) HTR1BALDH1A1CYP1A2HSD17B10KCNA3

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