SCHEMBL8555671

SCHEMBL8555671

Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C(=O)C(C)C)cc35)CCC4)CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.74
DRD4 P21917 6/20 0.39
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
HTR2A P28223 4/20 0.36
HTR1A P08908 3/20 0.36
HTR2C P28335 2/20 0.36
HTR7 P34969 2/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PARP1 P09874 1/20 0.34
GLA P06280 1/20 0.33
MAPT P10636 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
Hydrochloric Acid SCHEMBL8554866 0.99 ALOX5 (0.73) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8557855 0.87 ALOX5 (0.55) ALOX5DRD4MEN1MAPK1KMT2A
SCHEMBL8553220 0.85 ALOX5 (1.00) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8555304 0.85 ALOX5 (0.74) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8552301 0.84 ALOX5 (0.75) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8558429 0.84 ALOX5 (0.75) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8555043 0.84 ALOX5 (0.80) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8556159 0.84 ALOX5 (0.80) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8553744 0.82 ALOX5 (0.77) ALOX5DRD4DRD2DRD3HTR2A
SCHEMBL8554253 0.82 ALOX5 (0.77) ALOX5DRD4DRD2DRD3HTR2A

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