SCHEMBL5504256

SCHEMBL5504256

CCC(=O)N(c1ccccc1)[C@H]1CC(C)N(C(=O)c2ccc(N)cc2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.71
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL4118864 1.00 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4118861 1.00 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4123926 0.93 PTGDR2 (0.82) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4123722 0.91 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4128562 0.91 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4114575 0.90 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4114577 0.90 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4129711 0.90 PTGDR2 (0.80) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4114991 0.90 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL6278506 0.90 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNAHTT

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 4 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
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed