SCHEMBL8554253

SCHEMBL8554253

COc1cc2c3c(c1)c(CCN1CCN(c4cc(C)ccn4)CC1)c(C)n3CCC2

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.77
DRD4 P21917 4/20 0.43
DRD3 P35462 2/20 0.39
LIPG Q9Y5X9 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1A P08908 3/20 0.37

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
SCHEMBL8555304 0.89 ALOX5 (0.74) ALOX5DRD4DRD3DRD2HTR7
SCHEMBL8555043 0.87 ALOX5 (0.80) ALOX5DRD4DRD3LIPGDRD2
SCHEMBL8556159 0.87 ALOX5 (0.80) ALOX5DRD4DRD3DRD2HTR2A
SCHEMBL8553220 0.87 ALOX5 (1.00) ALOX5DRD4DRD3LIPGDRD2
SCHEMBL8554775 0.86 ALOX5 (0.77) ALOX5DRD4DRD3DRD2ADRA1D
SCHEMBL8553744 0.86 ALOX5 (0.77) ALOX5DRD4DRD3DRD2ADRA1D
SCHEMBL8557565 0.85 ALOX5 (0.77) ALOX5DRD4DRD3DRD2HTR2A
Hydrochloric Acid SCHEMBL8555007 0.84 ALOX5 (0.75) ALOX5DRD4DRD3DRD2ADRA1D
SCHEMBL8558429 0.84 ALOX5 (0.75) ALOX5DRD4DRD3DRD2ADRA1D
SCHEMBL8554546 0.83 ALOX5 (0.77) ALOX5DRD4DRD3DRD2HTR2A

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