SCHEMBL8553220

SCHEMBL8553220

Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(O)cc35)CCC4)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 1.00
DRD4 P21917 4/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 2/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
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
HTR1A P08908 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
PARP1 P09874 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
SCHEMBL8555043 0.89 ALOX5 (0.80) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8556159 0.89 ALOX5 (0.80) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8554775 0.87 ALOX5 (0.77) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8554253 0.87 ALOX5 (0.77) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8553744 0.87 ALOX5 (0.77) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8554546 0.87 ALOX5 (0.77) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8557565 0.87 ALOX5 (0.77) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8552301 0.86 ALOX5 (0.75) ALOX5DRD4DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL8555007 0.86 ALOX5 (0.75) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8558429 0.86 ALOX5 (0.75) ALOX5DRD4DRD2DRD3HTR2A

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