SCHEMBL5501719

SCHEMBL5501719

CCC(=O)N(c1ccccc1)[C@H]1CC(C)N(C(=O)c2cc(-c3ccccc3)no2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.56
NPSR1 Q6W5P4 3/20 0.54
GPR55 Q9Y2T6 2/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL4123911 1.00 PTGDR2 (0.56) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL4123914 1.00 PTGDR2 (0.56) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL4124990 0.94 LMNA (0.56) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL6282494 0.94 LMNA (0.56) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL4124993 0.94 LMNA (0.56) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL4132877 0.89 PTGDR2 (0.58) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL4132875 0.89 PTGDR2 (0.58) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL4138016 0.84 PTGDR2 (0.60) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL4138012 0.84 PTGDR2 (0.60) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL6278727 0.83 PTGDR2 (0.59) PTGDR2NPSR1LMNASMN1; SMN2MEN1

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