SCHEMBL5496989

SCHEMBL5496989

CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2cccc(Cl)c2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.68
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64

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
SCHEMBL4134645 1.00 PTGDR2 (0.68) PTGDR2MEN1KMT2A
SCHEMBL4134643 1.00 PTGDR2 (0.68) PTGDR2MEN1KMT2A
SCHEMBL4123926 0.90 PTGDR2 (0.82) PTGDR2MEN1KMT2A
SCHEMBL4117848 0.90 PTGDR2 (0.69) PTGDR2MEN1KMT2A
SCHEMBL4117852 0.90 PTGDR2 (0.69) PTGDR2MEN1KMT2A
SCHEMBL4123594 0.89 PTGDR2 (0.80) PTGDR2MEN1KMT2A
SCHEMBL4129711 0.89 PTGDR2 (0.80) PTGDR2MEN1KMT2A
SCHEMBL4129709 0.89 PTGDR2 (0.80) PTGDR2MEN1KMT2A
SCHEMBL4116677 0.87 PTGDR2 (0.70) PTGDR2MEN1KMT2A
SCHEMBL6277265 0.87 PTGDR2 (0.70) 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