SCHEMBL9216760

SCHEMBL9216760

CSc1ccc(N2CCN(CCCOc3ccc(C4=NCCO4)cc3)CC2)nn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.61
KCNH2 Q12809 2/20 0.61
LTA4H P09960 1/20 0.53
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
HRH1 P35367 3/20 0.39
HTR2A P28223 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR7 P34969 1/20 0.39
ACKR3 P25106 1/20 0.39
HRH2 P25021 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 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
SCHEMBL9214015 0.85 HRH3 (0.65) HRH3KCNH2LTA4HDRD2DRD1
SCHEMBL9211253 0.85 HRH3 (0.65) HRH3KCNH2LTA4HDRD2DRD1
SCHEMBL9211677 0.85 HRH3 (0.65) HRH3KCNH2LTA4HDRD2DRD1
SCHEMBL9217275 0.82 HRH3 (0.65) HRH3KCNH2LTA4HDRD2DRD1
SCHEMBL9212788 0.75 HRH3 (0.78) HRH3KCNH2LTA4HHRH1HTR2A
SCHEMBL9219912 0.74 HRH3 (0.71) HRH3KCNH2LTA4HHRH1ACKR3
SCHEMBL9219781 0.73 HRH3 (0.50) HRH3KCNH2LTA4HHRH1ACKR3
SCHEMBL9668080 0.70 HRH3 (0.68) HRH3KCNH2LTA4HACKR3RAB9A
SCHEMBL237690 0.70 HRH3 (0.60) HRH3KCNH2HRH1RAB9ANPC1
SCHEMBL15004835 0.69 DRD2 (0.52) HRH3DRD2DRD1DRD5DRD3

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