SCHEMBL9310310

SCHEMBL9310310

Clc1ccc(N2CCN(CCc3ccccc3)CC2)nn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
CASP1 P29466 1/20 0.54
CASP4 P49662 1/20 0.54
CASP5 P51878 1/20 0.54
VEGFA P15692 1/20 0.54
EGLN1 Q9GZT9 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC6A3 Q01959 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
Hydrochloric Acid SCHEMBL9311548 0.91 POLB (0.60) VEGFAEGLN1SIGMAR1POLBALDH1A1
SCHEMBL7146756 0.87 VEGFA (0.63) DRD2CASP1CASP5VEGFAEGLN1
SCHEMBL27634139 0.80 HTR1A (0.52) HTR1ADRD2CASP1CASP4CASP5
SCHEMBL27830575 0.79 CYP1A2 (0.57) VEGFAEGLN1CYP1A2MAPTALDH1A1
SCHEMBL9311956 0.79 CYP1A2 (0.43) VEGFAEGLN1CYP1A2ALDH1A1LMNA
SCHEMBL10754483 0.78 HTR1A (0.64) HTR1AVEGFAEGLN1SIGMAR1MAPT
SCHEMBL15004980 0.77 CYP1A2 (0.54) VEGFAEGLN1CYP1A2MAPTALDH1A1
SCHEMBL6056974 0.76 SLC6A3 (0.83) HTR1ADRD2SIGMAR1MAPTNPSR1
SCHEMBL7264546 0.76 SLC6A3 (0.83) HTR1ADRD2SIGMAR1MAPTNPSR1
SCHEMBL13150782 0.76 SLC6A3 (0.83) HTR1ADRD2SIGMAR1MAPTNPSR1

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
US-5292738-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-08 US disclosed
US-5157035-A Viricides JANSSEN PHARMACEUTICA N. V. (BE) 1992-10-20 US disclosed
US-5001125-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-19 US disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 EP disclosed
EP-0156433-A2 Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-02 EP disclosed