SCHEMBL8553506

SCHEMBL8553506

COc1cc2c3c(c1)c(CCO)c(C)n3CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MAPK1 P28482 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.37
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 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
SCHEMBL8555442 0.88 LIPG (0.47) LIPGHTR2AHTR2CMAPK1KMT2A
SCHEMBL8559870 0.76 HTR2A (0.76) LIPGHTR2AHTR2CKMT2AMEN1
SCHEMBL8554253 0.74 ALOX5 (0.77) LIPGHTR2AHTR2CALOX5DRD2
SCHEMBL8556552 0.70 HTR2A (0.49) LIPGHTR2AHTR2CMAPK1KMT2A
SCHEMBL8556651 0.68 HTR2A (0.47) HTR2AHTR2CMAPK1KMT2AMTNR1A
SCHEMBL8558110 0.65 HTR2A (0.44) HTR2AHTR2CMAPK1KMT2AMEN1
SCHEMBL9303580 0.64 MAPK1 (0.56) LIPGHTR2AHTR2CMAPK1KMT2A
SCHEMBL21300990 0.64 HTR2A (0.78) LIPGHTR2AHTR2CMAPK1KMT2A
SCHEMBL14198328 0.64 ALOX5 (0.50) HTR2AHTR2CMAPK1KMT2AMEN1
SCHEMBL8553952 0.63 HTR2A (0.76) LIPGHTR2AHTR2CKMT2AMEN1

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