SCHEMBL10990802

SCHEMBL10990802

ClCCCCOc1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.71
HTR1B P28222 9/20 0.68
SLC6A4 P31645 2/20 0.65
HRH1 P35367 1/20 0.62
TDP1 Q9NUW8 1/20 0.59
HTR1D P28221 1/20 0.59
NR2E1 Q9Y466 1/20 0.57
HRH3 Q9Y5N1 4/20 0.56
HTR2A P28223 2/20 0.56
HTR7 P34969 2/20 0.56
HTR6 P50406 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL10525295 0.98 KCNA3 (0.69) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL7381285 0.98 KCNA3 (0.69) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL74962 0.94 HTR1B (0.70) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL9770352 0.92 KCNA3 (0.81) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL1900320 0.90 HTR1B (0.67) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL16902853 0.90 KCNA3 (0.79) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL16902852 0.90 KCNA3 (0.79) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL16902854 0.90 KCNA3 (0.79) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL16902840 0.90 KCNA3 (0.79) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL16902855 0.90 KCNA3 (0.79) KCNA3HTR1BSLC6A4HRH1TDP1

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-4536503-A Naphthoxyalkylamines and related compounds as antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1985-08-20 US disclosed
EP-0082005-A2 Naphthoxyalkylamines and related compounds, their preparation and antiinflammatory compositions containing them SYNTEX (U.S.A.) INC. (US) 1983-06-22 EP disclosed