SCHEMBL5498723

SCHEMBL5498723

CC(=O)NC1CC(C)N(C(=O)c2ccc(N3CCCC3)cc2)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.76
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 1/20 0.44

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
SCHEMBL5404990 0.86 PTGDR2 (1.00) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5397091 0.86 PTGDR2 (1.00) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4131416 0.76 PTGDR2 (0.71) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5402416 0.75 PTGDR2 (0.77) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL27641494 0.75 PTGDR2 (0.69) PTGDR2LMNASMN1; SMN2BRD4
SCHEMBL4121623 0.75 PTGDR2 (0.79) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4121620 0.75 PTGDR2 (0.79) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4130883 0.74 PTGDR2 (0.71) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4129789 0.73 PTGDR2 (0.67) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4129792 0.73 PTGDR2 (0.67) PTGDR2LMNASMN1; SMN2MEN1KMT2A

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