SCHEMBL8553679

SCHEMBL8553679

Cc1ccnc(N2CCN(CCc3c(-c4ccc(OCCCCO)cc4)n4c5c(cccc35)CCC4)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
MCL1 Q07820 2/20 0.41
BCL2L1 Q07817 1/20 0.41
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
DRD4 P21917 2/20 0.38
HRH3 Q9Y5N1 5/20 0.36
BCL2 P10415 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL8557240 0.89 ALOX5 (0.57) ALOX5MCL1BCL2L1DRD2DRD3
SCHEMBL9304039 0.89 ALOX5 (0.51) ALOX5MCL1BCL2L1DRD2DRD3
SCHEMBL8557304 0.88 ALOX5 (0.65) ALOX5MCL1BCL2L1DRD2DRD3
SCHEMBL9305812 0.83 ALOX5 (0.63) ALOX5MCL1BCL2L1DRD2DRD3
SCHEMBL8557119 0.81 ALOX5 (0.64) ALOX5MCL1BCL2L1DRD2DRD3
SCHEMBL8557565 0.81 ALOX5 (0.77) ALOX5MCL1BCL2L1DRD2DRD3
Hydrochloric Acid SCHEMBL8555007 0.80 ALOX5 (0.75) ALOX5MCL1BCL2L1DRD2DRD3
SCHEMBL8560149 0.79 ALOX5 (0.63) ALOX5MCL1BCL2L1DRD2DRD3
SCHEMBL8554623 0.78 ALOX5 (0.70) ALOX5MCL1BCL2L1DRD2DRD3
SCHEMBL8554776 0.78 ALOX5 (0.73) ALOX5MCL1BCL2L1DRD2DRD3

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