SCHEMBL30966654

SCHEMBL30966654

C[C@@H]1NC(=O)NN=C1c1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 16/20 0.72
▸ PDE3A Q14432 15/20 0.72
▸ NOTUM Q6P988 3/20 0.56

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
SCHEMBL22288449 1.00 PDE3B (0.72) PDE3BPDE3ANOTUM
SCHEMBL28628042 0.89 PDE3B (0.57) PDE3BPDE3ANOTUM
SCHEMBL28615422 0.88 PDE3B (0.70) PDE3BPDE3ANOTUM
SCHEMBL28615454 0.86 PDE3B (0.59) PDE3BPDE3ANOTUM
SCHEMBL29842732 0.84 PDE3B (1.00) PDE3BPDE3A
SCHEMBL20702583 0.84 PDE3B (1.00) PDE3BPDE3A
SCHEMBL20702876 0.84 PDE3B (1.00) PDE3BPDE3A
SCHEMBL29842844 0.84 PDE3B (1.00) PDE3BPDE3A
SCHEMBL30966651 0.83 PDE3B (0.60) PDE3BPDE3ANOTUM
SCHEMBL22288454 0.83 PDE3B (0.74) PDE3BPDE3ANOTUM

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
CN-113348165-B 1,2, 4-Triazin-3 (2H) -one compounds for the treatment of hyperproliferative diseases 拜耳股份有限公司 2024-06-25 — — CN disclosed
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