SCHEMBL5529522

SCHEMBL5529522

CCC(=O)N(c1ccc(C(F)(F)F)cc1)[C@H]1CC(C)N(C(=O)c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 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
SCHEMBL4114672 1.00 PTGDR2 (0.59) PTGDR2MEN1KMT2A
SCHEMBL4114675 1.00 PTGDR2 (0.59) PTGDR2MEN1KMT2A
SCHEMBL4129178 0.94 PTGDR2 (0.68) PTGDR2MEN1KMT2A
SCHEMBL4129181 0.94 PTGDR2 (0.68) PTGDR2MEN1KMT2A
SCHEMBL4129496 0.94 PTGDR2 (0.67) PTGDR2MEN1KMT2A
SCHEMBL4129494 0.94 PTGDR2 (0.67) PTGDR2MEN1KMT2A
SCHEMBL4115027 0.90 PTGDR2 (0.68) PTGDR2MEN1KMT2A
SCHEMBL4124059 0.90 PTGDR2 (0.68) PTGDR2MEN1KMT2A
SCHEMBL4129660 0.86 PTGDR2 (0.51) PTGDR2MEN1KMT2A
SCHEMBL4129662 0.86 PTGDR2 (0.51) PTGDR2MEN1KMT2A

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