SCHEMBL5507702

SCHEMBL5507702

CC(=O)N(c1ccccc1)[C@H]1CC(C)N(C(=O)c2ccc(C)s2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 1/20 0.64
TSHR P16473 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL4129170 1.00 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4129166 1.00 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4133799 1.00 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4128457 0.92 PTGDR2 (0.69) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4128459 0.92 PTGDR2 (0.69) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4137487 0.92 PTGDR2 (0.69) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5408158 0.89 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5408167 0.89 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5408161 0.89 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4129221 0.88 PTGDR2 (0.69) PTGDR2MEN1KMT2ALMNASMN1; SMN2

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 4 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
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed