SCHEMBL8556651

SCHEMBL8556651

COc1ccc(-c2c(CCO)c3cccc4c3n2CCC4)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 4/20 0.42
BCL2L1 Q07817 1/20 0.42
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 2/20 0.40
GMNN O75496 1/20 0.40

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
SCHEMBL8556954 0.85 KDM4E (0.50) HTR2AHTR2CKDM4EMAPTMAPK1
SCHEMBL8559870 0.77 HTR2A (0.76) HTR2AHTR2CKDM4EHTTMCL1
SCHEMBL17686307 0.75 MCL1 (0.53) HTR2AHTR2CKDM4EMAPTMAPK1
SCHEMBL8553679 0.70 ALOX5 (0.54) HTR2AHTR2CMCL1BCL2L1BCL2
SCHEMBL17686338 0.69 MCL1 (0.56) HTR2AHTR2CKDM4EMAPTMAPK1
SCHEMBL8553506 0.68 LIPG (0.47) HTR2AHTR2CKDM4EMAPTMAPK1
SCHEMBL21300990 0.66 HTR2A (0.78) HTR2AHTR2CKDM4EMAPK1HTT
SCHEMBL16451345 0.65 HTR2A (1.00) HTR2AHTR2CKDM4EMCL1BCL2L1
SCHEMBL8553952 0.65 HTR2A (0.76) HTR2AHTR2CKDM4EMCL1BCL2L1
SCHEMBL1913967 0.64 HTR2A (0.87) HTR2AHTR2CKDM4EHTTMCL1

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