SCHEMBL10985381

SCHEMBL10985381

OCCCCCCCOc1cccc2cc(Cl)c(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
CNR1 P21554 2/20 0.46
KCNA3 P22001 1/20 0.43
HTR1B P28222 5/20 0.42
HTR1D P28221 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A4 P31645 2/20 0.40
NCF1 P14598 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8544058 0.79 KCNA3 (0.67) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL4647042 0.79 KCNA3 (0.67) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL8955863 0.79 KCNA3 (0.67) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL6438840 0.79 KCNA3 (0.67) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL1007097 0.79 KCNA3 (0.67) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL28859138 0.78 HTR1B (0.53) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL6272756 0.77 KCNA3 (0.69) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL9700638 0.76 CNR2 (0.58) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL8955424 0.76 TDP1 (0.67) CNR2HTR1DTDP1TP53CYP1A2
SCHEMBL27904038 0.76 TDP1 (0.67) CNR2HTR1DTDP1TP53CYP1A2

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