SCHEMBL9214015

SCHEMBL9214015

Clc1ccc(N2CCN(CCCOc3ccc(C4=NCCO4)cc3)CC2)nn1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.65
KCNH2 Q12809 1/20 0.65
LTA4H P09960 1/20 0.55
HRH1 P35367 4/20 0.45
HRH2 P25021 3/20 0.45
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
CXCR1 P25024 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
ACKR3 P25106 1/20 0.41

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
SCHEMBL9211253 0.88 HRH3 (0.65) HRH3KCNH2LTA4HHRH1HRH2
SCHEMBL9211677 0.88 HRH3 (0.65) HRH3KCNH2LTA4HHRH1HRH2
SCHEMBL9216760 0.85 HRH3 (0.61) HRH3KCNH2LTA4HHRH1HRH2
SCHEMBL9219781 0.84 HRH3 (0.50) HRH3KCNH2LTA4HHRH1HRH2
SCHEMBL9217275 0.84 HRH3 (0.65) HRH3KCNH2LTA4HHRH1HRH2
SCHEMBL15004835 0.82 DRD2 (0.52) HRH3HRH1HRH2DRD2DRD1
SCHEMBL9212665 0.80 DRD2 (0.52) HRH3HRH1HRH2DRD2DRD1
SCHEMBL15004726 0.80 DRD2 (0.61) HRH3HRH1HRH2DRD2DRD1
SCHEMBL9218018 0.78 KCNH2 (0.44) HRH3KCNH2LTA4HACKR3
SCHEMBL9219912 0.78 HRH3 (0.71) HRH3KCNH2LTA4HHRH1ACKR3

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