SCHEMBL9214819

SCHEMBL9214819

CCOC(=O)c1ccc(OCC2CCN(c3ccc(OC)nn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CA P42336 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 1/20 0.41
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
DGAT1 O75907 1/20 0.40

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
SCHEMBL14191673 0.91 NR1I2 (0.48) MAPTKDM4ELMNANPSR1RXFP1
SCHEMBL10588331 0.88 MEN1 (0.49) MAPTKDM4ELMNANPSR1RXFP1
SCHEMBL10588330 0.88 MEN1 (0.49) MAPTKDM4ELMNANPSR1RXFP1
Pirodavir SCHEMBL146440 0.80 HRH3 (0.46) MAPTKDM4ELMNANPSR1RXFP1
SCHEMBL9209675 0.80 HRH3 (0.44) MAPTKDM4ELMNANPSR1RXFP1
SCHEMBL9220549 0.79 HRH3 (0.45) MAPTKDM4ELMNANPSR1RXFP1
SCHEMBL27574704 0.79 CYP2C9 (0.54) MAPTHRH3KMT2AKCNH2PARP15
SCHEMBL9209752 0.78 HRH3 (0.44) MAPTKDM4ELMNANPSR1RXFP1
SCHEMBL9218863 0.78 HRH3 (0.44) MAPTKDM4ELMNANPSR1RXFP1
SCHEMBL9220790 0.77 MEN1 (0.47) MAPTKDM4ELMNANPSR1RXFP1

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 5 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
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