SCHEMBL9310480

SCHEMBL9310480

Fc1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
NPSR1 Q6W5P4 3/20 0.56
ALDH1A1 P00352 5/20 0.55
SIGMAR1 Q99720 2/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR1D P28221 1/20 0.55
HTR2C P28335 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
THRB P10828 1/20 0.54
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CNR2 P34972 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 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
SCHEMBL9312397 0.85 MAPT (0.57) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL9310797 0.85 MAPT (0.57) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL9310502 0.85 MAPT (0.57) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL28226906 0.82 ALDH1A1 (0.77) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL993579 0.81 NPSR1 (0.56) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL9312010 0.80 ADRB1 (0.50) MAPTNPSR1ALDH1A1DHFRKDM4E
SCHEMBL7875686 0.76 CNR2 (0.49) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL2494773 0.76 DHFR (0.59) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL4069047 0.76 ALDH1A1 (0.68) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL12706910 0.75 ALDH1A1 (0.72) MAPTNPSR1ALDH1A1SIGMAR1HTR3E

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