SCHEMBL9220549

SCHEMBL9220549

CCOC(=O)c1ccc(OCCCC2CCN(c3ccc(Br)nn3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 1/20 0.45
TBXAS1 P24557 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAOA P21397 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIK3CA P42336 1/20 0.40
HTT P42858 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL9209675 0.95 HRH3 (0.44) HRH3KCNH2TBXAS1KDM4ELMNA
SCHEMBL9218658 0.89 HRH3 (0.45) HRH3KCNH2TBXAS1KDM4ELMNA
SCHEMBL9219471 0.89 HRH3 (0.45) HRH3KCNH2TBXAS1KDM4ELMNA
SCHEMBL9220790 0.89 MEN1 (0.47) HRH3KCNH2TBXAS1KDM4ELMNA
Pirodavir SCHEMBL146440 0.86 HRH3 (0.46) HRH3KCNH2TBXAS1KDM4ELMNA
SCHEMBL9218060 0.85 HRH3 (0.45) HRH3KCNH2TBXAS1KDM4EMAPT
SCHEMBL9215093 0.84 MAPT (0.47) HRH3KCNH2MAPTHRH2HRH1
SCHEMBL9218863 0.83 HRH3 (0.44) HRH3KCNH2TBXAS1KDM4ELMNA
SCHEMBL9209752 0.83 HRH3 (0.44) HRH3KCNH2TBXAS1KDM4ELMNA
SCHEMBL9218579 0.82 HRH3 (0.43) HRH3KCNH2TBXAS1KDM4ELMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
CN-1021328-C PROCESS FOR PREPARING PYRIDAZINAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1993-06-23 CN disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed
CN-1033274-A The preparation method of new Pyridazinyl amine derivative JANSSEN PHARMACEUTICA NV (BE) 1989-06-07 CN disclosed