SCHEMBL7956496

SCHEMBL7956496

FC(F)(F)Oc1ccc(OC2CCN(c3ccncc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
ACACB O00763 13/20 0.48
KCNH2 Q12809 1/20 0.46
FPR2 P25090 2/20 0.42
PROKR1 Q8TCW9 2/20 0.42
SCN9A Q15858 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL7958655 0.88 LIPG (0.50) ACACBFPR2PROKR1
SCHEMBL7947314 0.84 ACACB (0.46) PDE3BPDE3AACACBPDE10A
SCHEMBL7956152 0.83 ACACB (0.52) PDE3BPDE3AACACBPDE10A
SCHEMBL7956861 0.82 ACACB (0.51) PDE3BPDE3AACACBPDE10A
SCHEMBL7956662 0.82 ACACB (0.55) PDE3BPDE3AACACBKCNH2PDE10A
SCHEMBL7961508 0.82 ACACB (0.51) PDE3BPDE3AACACBPDE10A
SCHEMBL7955313 0.80 ACACB (0.49) PDE3BPDE3AACACBPDE10A
SCHEMBL7961730 0.79 ACACB (0.51) PDE3BPDE3AACACBPDE10A
SCHEMBL7956683 0.79 HRH3 (0.58) PDE3BPDE3AACACBPDE10A
SCHEMBL7956968 0.79 ABL1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed