SCHEMBL9209752

SCHEMBL9209752

CCOC(=O)c1ccc(OCCC2CCN(c3ccc(F)nn3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
TBXAS1 P24557 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CA P42336 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P2RY12 Q9H244 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
SCHEMBL9219471 0.95 HRH3 (0.45) HRH3KCNH2KDM4EMAPTLMNA
Pirodavir SCHEMBL146440 0.91 HRH3 (0.46) HRH3KCNH2KDM4EMAPTLMNA
SCHEMBL9218863 0.88 HRH3 (0.44) HRH3KCNH2KDM4EMAPTLMNA
SCHEMBL9209675 0.88 HRH3 (0.44) HRH3KCNH2KDM4EMAPTLMNA
SCHEMBL9218229 0.87 MAPT (0.46) HRH3KCNH2MAPTGPR119NPC1
SCHEMBL9218579 0.85 HRH3 (0.43) HRH3KCNH2KDM4EMAPTLMNA
SCHEMBL9218008 0.84 KDM4E (0.44) HRH3KCNH2KDM4EMAPTGPR119
SCHEMBL9220790 0.83 MEN1 (0.47) HRH3KCNH2KDM4EMAPTLMNA
SCHEMBL9212796 0.83 PIK3CA (0.44) HRH3KCNH2KDM4EMAPTLMNA
SCHEMBL9218658 0.83 HRH3 (0.45) HRH3KCNH2KDM4EMAPTLMNA

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