SCHEMBL8556575

SCHEMBL8556575

Cc1c(CC(=O)O)c2cccc3c2n1CCCC3

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
MCL1 Q07820 5/20 0.54
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
BCL2L1 Q07817 1/20 0.46
BCL2 P10415 1/20 0.46
LIPG Q9Y5X9 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 5/20 0.43
CYP1A2 P05177 1/20 0.43
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL8554628 0.96 HTR2A (0.64) HTR2AHTR2CMCL1HPGDALDH1A1
SCHEMBL9304934 0.85 HTR2A (0.55) HTR2AHTR2CMCL1HPGDALDH1A1
SCHEMBL8552605 0.84 HTR2A (0.69) HTR2AHTR2CMCL1HPGDALDH1A1
SCHEMBL9305955 0.81 HTR2A (0.59) HTR2AHTR2CMCL1HPGDALDH1A1
SCHEMBL8552561 0.81 MCL1 (0.57) HTR2AHTR2CMCL1HPGDALDH1A1
SCHEMBL8559870 0.77 HTR2A (0.76) HTR2AHTR2CMCL1HPGDALDH1A1
SCHEMBL21300990 0.76 HTR2A (0.78) HTR2AHTR2CMCL1HPGDALDH1A1
SCHEMBL27376634 0.76 HTR2A (0.65) HTR2AHTR2CMCL1HPGDALDH1A1
SCHEMBL8554233 0.75 ALOX5 (0.53) HTR2AHTR2CMCL1HPGDALDH1A1
SCHEMBL8556954 0.75 KDM4E (0.50) HTR2AHTR2CMCL1HPGDALDH1A1

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