SCHEMBL8554785

SCHEMBL8554785

CCCCCCCC1CCc2cccc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
DRD4 P21917 4/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
KCNH2 Q12809 3/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CHRM4 P08173 1/20 0.34
KARS1 Q15046 1/20 0.34
HTR1A P08908 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
Hydrochloric Acid SCHEMBL8557808 0.99 ALOX5 (0.48) ALOX5DRD4DRD2DRD3KCNH2
SCHEMBL8595965 0.97 ALOX5 (0.52) ALOX5DRD4DRD2DRD3KCNH2
SCHEMBL8553118 0.88 ALOX5 (0.53) ALOX5DRD4DRD2DRD3KCNH2
SCHEMBL13696691 0.86 ALOX5 (0.67) ALOX5DRD4DRD2DRD3CHRM4
SCHEMBL8556109 0.83 ALOX5 (0.51) ALOX5DRD4DRD2DRD3KCNH2
SCHEMBL8558769 0.81 ALOX5 (0.52) ALOX5DRD4DRD2DRD3CHRM4
SCHEMBL8557565 0.78 ALOX5 (0.77) ALOX5DRD4DRD2DRD3KCNH2
SCHEMBL8557691 0.77 HTR2A (0.37)
Hydrochloric Acid SCHEMBL8555007 0.77 ALOX5 (0.75) ALOX5DRD4DRD2DRD3KCNH2
SCHEMBL8554776 0.77 ALOX5 (0.73) ALOX5DRD4DRD2DRD3KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529452-B1 1,7-Condensed 3-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 1998-11-11 EP disclosed
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed
EP-0529452-A2 1,7-Condensed 2-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1993-03-03 EP disclosed