SCHEMBL8556650

SCHEMBL8556650

Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(NC(=O)c6ccccc6)cc35)CCC4)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.69
DRD4 P21917 5/20 0.43
DRD2 P14416 5/20 0.41
DRD3 P35462 4/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8553744 0.85 ALOX5 (0.77) ALOX5DRD4DRD2DRD3HTR1A
Cadaverine Tartrate SCHEMBL9304650 0.85 ALOX5 (0.71) ALOX5DRD4DRD2DRD3HTR1A
SCHEMBL8553220 0.82 ALOX5 (1.00) ALOX5DRD4DRD2DRD3HTR1A
SCHEMBL8555671 0.82 ALOX5 (0.74) ALOX5DRD4DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL8554866 0.81 ALOX5 (0.73) ALOX5DRD4DRD2DRD3HTR1A
SCHEMBL8555043 0.80 ALOX5 (0.80) ALOX5DRD4DRD2DRD3HTR1A
SCHEMBL8556159 0.80 ALOX5 (0.80) ALOX5DRD4DRD2DRD3HTR1A
SCHEMBL8555304 0.80 ALOX5 (0.74) ALOX5DRD4DRD2DRD3HTR1A
SCHEMBL8557565 0.80 ALOX5 (0.77) ALOX5DRD4DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL8555007 0.80 ALOX5 (0.75) ALOX5DRD4DRD2DRD3HTR1A

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