SCHEMBL8552561

SCHEMBL8552561

CCOC(=O)c1c(CC(=O)O)c2cccc3c2n1CCC3

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.57
BCL2 P10415 1/20 0.51
BCL2L1 Q07817 1/20 0.51
KDM4E B2RXH2 6/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 2/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RXFP1 Q9HBX9 1/20 0.42
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL9303008 0.91 MCL1 (0.54) MCL1BCL2BCL2L1KDM4EKMT2A
SCHEMBL17686297 0.85 MCL1 (0.52) MCL1BCL2BCL2L1KDM4EKMT2A
SCHEMBL8554628 0.85 HTR2A (0.64) MCL1BCL2BCL2L1KDM4EKMT2A
SCHEMBL17686287 0.84 MCL1 (0.63) MCL1BCL2BCL2L1KDM4EKMT2A
SCHEMBL8556575 0.81 HTR2A (0.60) MCL1BCL2BCL2L1KDM4EKMT2A
SCHEMBL9305955 0.81 HTR2A (0.59) MCL1BCL2BCL2L1KDM4EKMT2A
SCHEMBL17686291 0.79 MCL1 (0.50) MCL1BCL2BCL2L1KDM4EKMT2A
SCHEMBL17686350 0.78 MCL1 (0.62) MCL1BCL2BCL2L1KDM4EKMT2A
SCHEMBL9304984 0.78 ALOX5 (0.45) MCL1BCL2BCL2L1KDM4EKMT2A
SCHEMBL9304934 0.77 HTR2A (0.55) MCL1BCL2BCL2L1KDM4EKMT2A

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