SCHEMBL5499072

SCHEMBL5499072

CCC(=O)N(c1ccc(Cl)cc1)[C@H]1CC(C)N(C(=O)c2ccc(F)cc2)c2ccc(Br)cc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.52
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4115611 1.00 PTGDR2 (0.52) PTGDR2LMNAPOLBMAPTHTT
SCHEMBL4115607 1.00 PTGDR2 (0.52) PTGDR2LMNAPOLBMAPTHTT
SCHEMBL4129830 0.95 PTGDR2 (0.49) PTGDR2MEN1KMT2A
SCHEMBL4129827 0.95 PTGDR2 (0.49) PTGDR2MEN1KMT2A
SCHEMBL4124172 0.90 PTGDR2 (0.53) PTGDR2LMNAPOLBMAPTHTT
SCHEMBL4129402 0.90 PTGDR2 (0.53) PTGDR2LMNAPOLBMAPTHTT
SCHEMBL4124175 0.90 PTGDR2 (0.53) PTGDR2LMNAPOLBMAPTHTT
SCHEMBL4129399 0.90 PTGDR2 (0.53) PTGDR2LMNAPOLBMAPTHTT
SCHEMBL4118834 0.88 PTGDR2 (0.53) PTGDR2MEN1KMT2A
SCHEMBL4118835 0.88 PTGDR2 (0.53) 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