SCHEMBL7105334

SCHEMBL7105334

CN1CCN(C2=C(N)C=CNC2(CCN2CCCC2)c2ccc(Cl)cc2Cl)C(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GSK3B P49841 2/20 0.33
GSK3A P49840 1/20 0.33
DRD2 P14416 4/20 0.31
DRD3 P35462 4/20 0.31
TMEM97 Q5BJF2 3/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 2/20 0.31
KCNH2 Q12809 1/20 0.31
HRH1 P35367 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL7105342 0.61 GSK3B (0.43) SLC6A2SLC6A4KDM4EALDH1A1POLB
SCHEMBL157609 0.58 SLC6A2 (0.56) SLC6A2SLC6A4ALDH1A1POLBDRD2
SCHEMBL13211502 0.58 GSK3B (0.47) SLC6A2SLC6A4POLBGSK3BGSK3A
SCHEMBL21424922 0.58 DRD2 (0.57) SLC6A2SLC6A4ALDH1A1DRD2DRD3
SCHEMBL11491115 0.56 L3MBTL1 (0.51) ALDH1A1DRD2KMT2AHTR1AHTR7
SCHEMBL4922025 0.54 ALOX15 (0.32)
SCHEMBL21594995 0.53 L3MBTL1 (0.49) SLC6A2SLC6A4KMT2A
SCHEMBL5740932 0.53 AHR (0.55) DRD2DRD3HTR7HTR2C
SCHEMBL14447297 0.52 ACHE (0.43) DRD2DRD3KCNH2HRH3
SCHEMBL4808962 0.52 ALOX15 (0.32) TDP1HRH3

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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed