SCHEMBL5501945

SCHEMBL5501945

CC(=O)N(c1ccccc1)[C@H]1CC(C)N(C(=O)c2ccno2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HTT P42858 1/20 0.63
TSHR P16473 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61

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
SCHEMBL4115469 1.00 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4115473 1.00 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL13921486 1.00 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4134593 1.00 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4138016 0.89 PTGDR2 (0.60) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4138012 0.89 PTGDR2 (0.60) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4131812 0.84 NPSR1 (0.85) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4116979 0.84 NPSR1 (0.85) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5394167 0.83 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL4119068 0.83 PTGDR2 (1.00) 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