SCHEMBL8554742

SCHEMBL8554742

COc1cccc2c1N(N=O)CCC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.66
ALDH1A1 P00352 5/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AADAT Q8N5Z0 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38

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
SCHEMBL14852694 0.78 HTR2C (0.50) ALOX12HTR2CHTR2BMEN1KMT2A
SCHEMBL8558143 0.76 HTR2C (0.49) ALDH1A1HTR2CHTR2BMEN1KMT2A
SCHEMBL9789155 0.75 ALOX12 (0.64) ALOX12ALDH1A1MEN1KMT2ADRD2
SCHEMBL24316035 0.74 HTR2C (0.44) ALOX12ALDH1A1HTR2CHTR2BMEN1
SCHEMBL9928159 0.70 DRD2 (0.53) HTR2CHTR2BMEN1KMT2ADRD2
SCHEMBL31139409 0.70 MEN1 (0.46) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL1437753 0.68 ALDH1A1 (0.60) ALOX12ALDH1A1MEN1KMT2A
SCHEMBL29933410 0.68 ALDH1A1 (0.60) ALOX12ALDH1A1MEN1KMT2A
SCHEMBL12905306 0.68 DRD3 (0.50) HTR2CHTR2BDRD2DRD1DRD5
SCHEMBL21232729 0.68 NOTUM (0.63) ALDH1A1DRD2DRD1DRD5DRD3

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 2 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
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