SCHEMBL5505537

SCHEMBL5505537

CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)nnn3S(C)(=O)=O)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.65
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL4127998 0.89 PTGDR2 (0.69) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4133293 0.87 PTGDR2 (0.66) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4133295 0.87 PTGDR2 (0.66) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4128423 0.84 PTGDR2 (0.64) PTGDR2MEN1KMT2A
SCHEMBL4121971 0.81 PTGDR2 (0.80) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4122782 0.81 PTGDR2 (0.66) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4129627 0.80 PTGDR2 (0.88) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4129626 0.80 PTGDR2 (0.88) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4121617 0.80 PTGDR2 (1.00) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL5408149 0.80 PTGDR2 (1.00) PTGDR2MEN1KMT2ALMNAPOLB

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