SCHEMBL8552835

SCHEMBL8552835

CC(=O)N1CCN(CCc2c(C)n3c4c(cccc24)CCC3)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
MCL1 Q07820 4/20 0.47
ALOX5 P09917 1/20 0.47
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BCL2L1 Q07817 1/20 0.43
BCL2 P10415 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HTR7 P34969 3/20 0.39

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
SCHEMBL8552143 0.82 HTR2C (0.66) HTR2AHTR2CMCL1ALOX5KDM4E
SCHEMBL8552605 0.79 HTR2A (0.69) HTR2AHTR2CMCL1KDM4EL3MBTL1
SCHEMBL27376634 0.79 HTR2A (0.65) HTR2AHTR2CMCL1KDM4EL3MBTL1
SCHEMBL8559870 0.79 HTR2A (0.76) HTR2AHTR2CMCL1KDM4EHPGD
SCHEMBL8557437 0.78 HTR2A (0.54) HTR2AHTR2CKDM4EHPGDKMT2A
SCHEMBL1913967 0.78 HTR2A (0.87) HTR2AHTR2CMCL1KDM4EL3MBTL1
SCHEMBL21300990 0.77 HTR2A (0.78) HTR2AHTR2CMCL1KDM4EHPGD
SCHEMBL8554628 0.77 HTR2A (0.64) HTR2AHTR2CMCL1KDM4EL3MBTL1
SCHEMBL8553952 0.76 HTR2A (0.76) HTR2AHTR2CMCL1KDM4EHPGD
SCHEMBL16451345 0.76 HTR2A (1.00) HTR2AHTR2CMCL1KDM4EHPGD

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