SCHEMBL5080947

SCHEMBL5080947

Fc1cccc(-c2cc(C(F)(F)F)cc3c2O[CH]C3)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
CHRM5 P08912 1/20 0.32
PDE2A O00408 1/20 0.32
PDE6D O43924 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE6H Q13956 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HSD11B1 P28845 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL27703070 0.89 GPBAR1 (0.36) GPBAR1PDE3BPDE3ACHRM5HTR1A
SCHEMBL4762623 0.81 CHRM1 (0.32) PDE3BPDE3A
SCHEMBL5583754 0.81 NOTUM (0.34) GPBAR1HSD11B1
SCHEMBL4596883 0.80 GPBAR1 (0.37) GPBAR1HTR1AHTR7
SCHEMBL4713338 0.80 GPBAR1 (0.34) GPBAR1PDE3BPDE3A
SCHEMBL27703057 0.80 TACR1 (0.37) GPBAR1CHRM5HSD11B1TACR1
SCHEMBL4712286 0.80 TACR1 (0.38) GPBAR1TACR1
SCHEMBL4960255 0.80 CETP (0.35) GPBAR1PDE3BPDE3ACHRM5
SCHEMBL6374163 0.79 BCAT1 (0.33) PDE3BPDE3AHTR1AHTR7
SCHEMBL27703048 0.78 HTR1A (0.36) PDE3BPDE3AHTR1AHTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO claimed