SCHEMBL9212796

SCHEMBL9212796

CCOC(=O)c1ccc(OCCC2CCN(c3cc(C)c(Cl)nn3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
TBXAS1 P24557 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
MAOA P21397 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
CHEK2 O96017 2/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL1751840 0.86 KCNH2 (0.43) HRH3KCNH2TDP1L3MBTL1PPARG
Pirodavir SCHEMBL146440 0.86 HRH3 (0.46) PIK3CAHRH3KCNH2TDP1L3MBTL1
SCHEMBL9218920 0.85 KCNH2 (0.43) HRH3KCNH2TDP1L3MBTL1PPARG
SCHEMBL9218863 0.83 HRH3 (0.44) PIK3CAHRH3KCNH2TDP1L3MBTL1
SCHEMBL9209675 0.83 HRH3 (0.44) PIK3CAHRH3KCNH2TDP1L3MBTL1
SCHEMBL9209752 0.83 HRH3 (0.44) PIK3CAHRH3KCNH2TDP1L3MBTL1
SCHEMBL9220790 0.83 MEN1 (0.47) PIK3CAHRH3KCNH2TDP1L3MBTL1
SCHEMBL15004677 0.82 KCNH2 (0.42) HRH3KCNH2TDP1L3MBTL1PPARG
SCHEMBL9218008 0.82 KDM4E (0.44) PIK3CAHRH3KCNH2TDP1L3MBTL1
SCHEMBL9218579 0.80 HRH3 (0.43) PIK3CAHRH3KCNH2TDP1L3MBTL1

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