SCHEMBL9311684

SCHEMBL9311684

Fc1cccc(C2=CCCNC2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
HTR2A P28223 10/20 0.48
HTR6 P50406 3/20 0.45
NISCH Q9Y2I1 1/20 0.42
HTR7 P34969 3/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ESR2 Q92731 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 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
SCHEMBL3686869 0.82 HTR2C (0.44) HTR2AHTR6NISCHHTR7HTR2C
SCHEMBL13490468 0.79 ADRA2A (0.54) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL8959992 0.79 HTR2C (0.57) ADRA2AADRA2BHTR2AHTR6HTR7
SCHEMBL14904833 0.79 ADRA2A (0.54) ADRA2AADRA2BHTR2ANISCHHTR7
SCHEMBL11199688 0.79 ADRA2A (0.54) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL8960219 0.79 HTR2C (0.60) ADRA2AADRA2BHTR2AHTR6HTR2C
SCHEMBL8960083 0.78 ADRA2A (0.61) ADRA2AADRA2BHTR2AHTR6HTR2C
Bromide SCHEMBL11203752 0.78 ADRA2A (0.53) ADRA2AADRA2BHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL9310385 0.78 ADRA2A (0.53) ADRA2AADRA2BHTR2ANISCHHTR7
Hydrochloric Acid SCHEMBL11441742 0.78 HTR2C (0.61) ADRA2AADRA2BHTR2AHTR6HTR2C

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