SCHEMBL5507535

SCHEMBL5507535

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

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.85
MEN1 O00255 2/20 0.85
KMT2A Q03164 2/20 0.85
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HTT P42858 1/20 0.67

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
SCHEMBL4123790 1.00 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4128783 1.00 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4123791 1.00 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4119068 0.92 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL5394167 0.92 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL4119071 0.92 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL4130297 0.92 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4121229 0.92 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4121232 0.92 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5406380 0.91 PTGDR2 (0.89) PTGDR2MEN1KMT2ALMNASMN1; SMN2

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