SCHEMBL5579309

SCHEMBL5579309

O=c1ccc2cnn(C(F)(F)F)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 19/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL14905764 0.73 PDE3B (0.39) HCAR1PDE3BPDE3A
SCHEMBL18237507 0.69 PDE9A (0.36) HCAR1PDE3BPDE3A
SCHEMBL2643791 0.68 HCAR1 (0.48) HCAR1
SCHEMBL28936229 0.65 HSD17B10 (0.59) HCAR1
SCHEMBL1720850 0.63 PDE3B (0.38) HCAR1PDE3BPDE3A
SCHEMBL29520927 0.61 RECQL (0.43)
SCHEMBL29828263 0.59 MAPK8 (0.36) HCAR1PDE3BPDE3A
SCHEMBL30911404 0.58 CYP19A1 (0.34)
SCHEMBL30549011 0.58 HPGD (0.40) PDE3BPDE3A
SCHEMBL30039796 0.58 HPGD (0.40) PDE3BPDE3A

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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US disclosed