SCHEMBL30284233

SCHEMBL30284233

O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 7/20 0.39
PTGDR2 Q9Y5Y4 12/20 0.39
MC4R P32245 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
SCHEMBL34464166 1.00 MTHFD2 (0.39) MTHFD2PTGDR2MC4R
SCHEMBL23972440 1.00 MTHFD2 (0.39) MTHFD2PTGDR2MC4R
SCHEMBL31407022 1.00 MTHFD2 (0.39) MTHFD2PTGDR2MC4R
SCHEMBL31407024 0.85 MTHFD2 (0.44) MTHFD2PTGDR2
SCHEMBL30283868 0.85 MTHFD2 (0.44) MTHFD2PTGDR2
SCHEMBL23973017 0.85 MTHFD2 (0.44) MTHFD2PTGDR2
SCHEMBL34464082 0.85 MTHFD2 (0.44) MTHFD2PTGDR2
SCHEMBL26672730 0.80 MTHFD2 (0.42) MTHFD2
SCHEMBL34464018 0.79 MTHFD2 (0.42) MTHFD2
SCHEMBL26672694 0.79 MTHFD2 (0.42) MTHFD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427409-B Pyrimidine-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2025-02-25 CN claimed
CN-115427409-B Pyrimidine-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2025-02-25 CN disclosed
CN-115776890-A TRPV4 inhibitors as therapeutic agents for eye diseases 拉夸里亚创药株式会社 2023-03-10 CN disclosed