SCHEMBL8780201

SCHEMBL8780201

c1ccc2c(OCCCCCCCCN3CCCC3)cccc2c1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.97
HTR2A P28223 2/20 0.97
HTR7 P34969 2/20 0.97
HTR6 P50406 2/20 0.97
TDP1 Q9NUW8 1/20 0.97
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
DRD3 P35462 1/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C19 P33261 2/20 0.65
KDM4E B2RXH2 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.62

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
SCHEMBL491876 1.00 HRH3 (0.97) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL5856195 0.99 HRH3 (0.94) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL8780187 0.98 TDP1 (1.00) HRH3HTR2AHTR7HTR6TDP1
Hydrochloric Acid SCHEMBL8780151 0.97 HRH3 (0.97) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL14970546 0.93 HRH3 (0.89) HRH3HTR2AHTR7HTR6TDP1
Oxalic Acid SCHEMBL8780098 0.91 TDP1 (0.85) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL5277527 0.90 HRH3 (0.79) HRH3HTR2AHTR7HTR6TDP1
Oxalic Acid SCHEMBL8780050 0.90 HRH3 (0.83) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL7391518 0.89 HRH3 (0.78) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL14970486 0.88 HRH3 (0.81) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0082005-A2 Naphthoxyalkylamines and related compounds, their preparation and antiinflammatory compositions containing them SYNTEX (U.S.A.) INC. (US) 1983-06-22 EP claimed
EP-0662964-B1 HETEROCYCLIC AMINES HAVING CALMODULIN ANTAGONIST PROPERTIES BRITISH TECH GROUP (GB) 1997-06-11 EP disclosed
US-5543422-A HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS, FUNGICIDES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-08-06 US disclosed
EP-0662964-A1 HETEROCYCLIC AMINES HAVING COLMODULIN ANTAGONIST PROPERTIES. BRITISH TECH GROUP (GB) 1995-07-19 EP disclosed
WO-1994007875-A1 HETEROCYCLIC AMINES HAVING COLMODULIN ANTAGONIST PROPERTIES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-04-14 WO disclosed
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