SCHEMBL5501649

SCHEMBL5501649

CCC(=O)N(c1ccc(Cl)cc1)[C@H]1CC(C)N(C(=O)c2ccno2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
NPSR1 Q6W5P4 4/20 0.56
HTT P42858 3/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.56
PTGDR2 Q9Y5Y4 12/20 0.55
GPR55 Q9Y2T6 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.46

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
SCHEMBL4121769 1.00 LMNA (0.56) LMNANPSR1HTTPOLBMAPT
SCHEMBL4121764 1.00 LMNA (0.56) LMNANPSR1HTTPOLBMAPT
SCHEMBL4138012 0.93 PTGDR2 (0.60) LMNANPSR1HTTPOLBMAPT
SCHEMBL4138016 0.93 PTGDR2 (0.60) LMNANPSR1HTTPOLBMAPT
SCHEMBL6282494 0.82 LMNA (0.56) LMNANPSR1HTTPOLBMAPT
SCHEMBL4124993 0.82 LMNA (0.56) LMNANPSR1HTTPOLBMAPT
SCHEMBL4124990 0.82 LMNA (0.56) LMNANPSR1HTTPOLBMAPT
SCHEMBL4115473 0.82 PTGDR2 (0.70) LMNANPSR1HTTMAPTPTGDR2
SCHEMBL4129709 0.82 PTGDR2 (0.80) LMNANPSR1HTTPOLBMAPT
SCHEMBL4129711 0.82 PTGDR2 (0.80) LMNANPSR1HTTPOLBMAPT

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