SCHEMBL8557233

SCHEMBL8557233

Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc([N+](=O)[O-])cc35)C=CC4)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
DRD4 P21917 3/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP1 P09874 1/20 0.33
MAPT P10636 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL8558162 0.82 ALOX5 (0.74) ALOX5DRD4DRD2DRD3MEN1
SCHEMBL8552538 0.69 ALOX5 (0.57) ALOX5DRD4DRD2DRD3ALDH1A1
SCHEMBL8555043 0.69 ALOX5 (0.80) ALOX5DRD4DRD2DRD3MEN1
SCHEMBL8556159 0.69 ALOX5 (0.80) ALOX5DRD4DRD2DRD3MEN1
SCHEMBL8553220 0.69 ALOX5 (1.00) ALOX5DRD4DRD2DRD3MEN1
SCHEMBL8557565 0.68 ALOX5 (0.77) ALOX5DRD4DRD2DRD3ALDH1A1
SCHEMBL9304810 0.68 ALOX5 (0.56) ALOX5DRD4DRD2DRD3ALDH1A1
SCHEMBL9305207 0.68 ALOX5 (0.56) ALOX5DRD4DRD2DRD3ALDH1A1
SCHEMBL8554000 0.68 ALOX5 (0.55) ALOX5MEN1KMT2AALDH1A1PARP1
Hydrochloric Acid SCHEMBL8555007 0.67 ALOX5 (0.75) ALOX5DRD4DRD2DRD3ALDH1A1

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 4 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
CN-1069732-A 1, the 2-that 7-a pair of horses going side by side is closed (piperazine alkyl) indole derivatives and preparation method and intermediate product and the medicament that contains these compounds KALI CHEMIE PHARMA GMBH (DE) 1993-03-10 CN 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