SCHEMBL8555442

SCHEMBL8555442

COc1cc2c3c(c1)c(CCBr)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 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX5 P09917 1/20 0.40
HTR6 P50406 1/20 0.34
MTNR1A P48039 5/20 0.34
MTNR1B P49286 5/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL8553506 0.88 LIPG (0.47) LIPGHTR2AHTR2CMAPK1KMT2A
SCHEMBL8556552 0.83 HTR2A (0.49) LIPGHTR2AHTR2CMAPK1KMT2A
SCHEMBL8558110 0.77 HTR2A (0.44) HTR2AHTR2CMAPK1KMT2AMEN1
SCHEMBL8553952 0.76 HTR2A (0.76) LIPGHTR2AHTR2CKMT2AMEN1
SCHEMBL8554253 0.74 ALOX5 (0.77) LIPGHTR2AHTR2CALOX5DRD2
SCHEMBL21300990 0.64 HTR2A (0.78) LIPGHTR2AHTR2CMAPK1KMT2A
SCHEMBL14198328 0.64 ALOX5 (0.50) HTR2AHTR2CMAPK1KMT2AMEN1
SCHEMBL16451345 0.63 HTR2A (1.00) LIPGHTR2AHTR2CKMT2AMEN1
SCHEMBL8559870 0.63 HTR2A (0.76) LIPGHTR2AHTR2CKMT2AMEN1
SCHEMBL28231325 0.63 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1HPGDCYP1A2

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