SCHEMBL9219912

SCHEMBL9219912

c1ccc(CN2CCN(CCCOc3ccc(C4=NCCO4)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.71
KCNH2 Q12809 2/20 0.71
LTA4H P09960 1/20 0.60
ACKR3 P25106 1/20 0.52
ACHE P22303 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAD52 P43351 1/20 0.50
HRH1 P35367 1/20 0.49
MAOB P27338 1/20 0.48
BCHE P06276 1/20 0.48
APP P05067 1/20 0.47

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
Fumaric Acid SCHEMBL9278014 0.92 HRH3 (0.61) HRH3KCNH2LTA4HACKR3ACHE
SCHEMBL9212788 0.81 HRH3 (0.78) HRH3KCNH2LTA4HACKR3MAPK1
SCHEMBL9217275 0.78 HRH3 (0.65) HRH3KCNH2LTA4HACKR3HRH1
SCHEMBL9214015 0.78 HRH3 (0.65) HRH3KCNH2LTA4HACKR3HRH1
SCHEMBL9213571 0.76 HRH3 (0.65) HRH3KCNH2LTA4HACKR3RAB9A
SCHEMBL9668080 0.76 HRH3 (0.68) HRH3KCNH2LTA4HACKR3RAB9A
SCHEMBL9211677 0.76 HRH3 (0.65) HRH3KCNH2LTA4HACKR3HRH1
SCHEMBL9211253 0.76 HRH3 (0.65) HRH3KCNH2LTA4HACKR3HRH1
SCHEMBL3574322 0.76 HRH3 (0.86) HRH3KCNH2ACHERAD52HRH1
SCHEMBL4237405 0.75 LTA4H (0.72) HRH3KCNH2LTA4HACHERAB9A

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 3 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-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