SCHEMBL5501247

SCHEMBL5501247

C[C@@H]1C[C@@H](N)c2ccccc2N1C(=O)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PTGDR2 Q9Y5Y4 7/20 0.54

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
SCHEMBL4127938 1.00 MEN1 (0.58) MEN1KMT2APTGDR2
SCHEMBL4127941 1.00 MEN1 (0.58) MEN1KMT2APTGDR2
SCHEMBL4116661 0.85 PTGDR2 (0.65) MEN1KMT2APTGDR2
SCHEMBL4123897 0.85 PTGDR2 (0.58) MEN1KMT2APTGDR2
SCHEMBL5315752 0.85 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL5376563 0.85 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL6070868 0.85 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL6071132 0.85 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL5497430 0.85 PTGDR2 (0.65) MEN1KMT2APTGDR2
SCHEMBL6070865 0.85 MEN1 (0.56) MEN1KMT2APTGDR2

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-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed