SCHEMBL9312261

SCHEMBL9312261

FC(F)(F)c1cccc(C2CCN(c3ccc(I)nn3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
HTR2C P28335 2/20 0.49
CNR2 P34972 1/20 0.46
GRM2 Q14416 3/20 0.45
DRD4 P21917 1/20 0.43
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP5 P45974 1/20 0.38
THRB P10828 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
LMNA P02545 1/20 0.38
CHRM4 P08173 1/20 0.38
TRPV6 Q9H1D0 1/20 0.37

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
SCHEMBL10429410 0.93 DRD2 (0.46) DRD2HTR2CCNR2GRM2DRD4
Hydrochloric Acid SCHEMBL9310856 0.84 DRD2 (0.53) DRD2HTR2CCNR2GRM2DRD4
SCHEMBL9312397 0.80 MAPT (0.57) HTR2CCNR2MAPTSMN1; SMN2THRB
SCHEMBL10429405 0.80 DRD2 (0.50) DRD2HTR2CCNR2GRM2DRD4
SCHEMBL10429379 0.79 DRD2 (0.46) DRD2HTR2CCNR2GRM2DRD4
SCHEMBL10429375 0.79 DRD2 (0.49) DRD2HTR2CCNR2GRM2DRD4
SCHEMBL2363188 0.78 AVPR1A (0.55) DRD2HTR2CGRM2DRD4MAPT
SCHEMBL2514320 0.77 DRD2 (0.50) DRD2HTR2CGRM2DRD4LMNA
SCHEMBL7875719 0.76 SCD (0.55) DRD2HTR2CCNR2GRM2DRD4
SCHEMBL3307894 0.74 MLYCD (0.51) DRD2HTR2CGRM2MAPTSMN1; SMN2

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