SCHEMBL9212665

SCHEMBL9212665

COc1ccc(OCCCN2CCN(c3ccc(Cl)nn3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.52
DRD3 P35462 4/20 0.52
DRD1 P21728 3/20 0.52
DRD5 P21918 3/20 0.52
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HTR4 Q13639 1/20 0.48
HTR1A P08908 4/20 0.48
HTR2A P28223 4/20 0.48
HRH1 P35367 3/20 0.48
HTR7 P34969 2/20 0.48
ADRA2C P18825 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
HRH2 P25021 2/20 0.47
ADRA1A P35348 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL15004835 0.90 DRD2 (0.52) DRD2DRD3DRD1DRD5ALDH1A1
SCHEMBL15004726 0.90 DRD2 (0.61) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL15004670 0.88 HRH3 (0.52) DRD2DRD3DRD1DRD5ALDH1A1
SCHEMBL15004731 0.88 MEN1 (0.61) DRD2DRD3DRD1DRD5ALDH1A1
SCHEMBL15004696 0.86 HRH3 (0.53) DRD2HTR4HTR1AHTR2AHRH1
SCHEMBL15004872 0.82 HRH3 (0.60) HRH1HRH3HRH2
SCHEMBL9214015 0.80 HRH3 (0.65) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL5884836 0.79 HTR4 (0.46) DRD2DRD3DRD1DRD5ALDH1A1
SCHEMBL9311925 0.79 ALDH1A1 (0.58) DRD2MAPTALDH1A1LMNASIGMAR1
SCHEMBL15004980 0.76 CYP1A2 (0.54) MAPTALDH1A1LMNAHTR4

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