SCHEMBL5504514

SCHEMBL5504514

COc1ccc(C(=O)N2c3cc(C)ccc3[C@@H](N(C(C)=O)c3ccc(Cl)cc3)CC2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.67
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL4118750 1.00 PTGDR2 (0.67) PTGDR2MEN1KMT2A
SCHEMBL4133703 1.00 PTGDR2 (0.67) PTGDR2MEN1KMT2A
SCHEMBL4118749 1.00 PTGDR2 (0.67) PTGDR2MEN1KMT2A
SCHEMBL14502272 0.94 PTGDR2 (0.71) PTGDR2MEN1KMT2A
SCHEMBL4128943 0.90 PTGDR2 (0.67) PTGDR2MEN1KMT2A
SCHEMBL4128940 0.90 PTGDR2 (0.67) PTGDR2MEN1KMT2A
SCHEMBL4114102 0.88 PTGDR2 (0.85) PTGDR2MEN1KMT2A
SCHEMBL4127237 0.88 PTGDR2 (0.70) PTGDR2MEN1KMT2A
SCHEMBL4128335 0.88 PTGDR2 (0.85) PTGDR2MEN1KMT2A
SCHEMBL5527200 0.88 PTGDR2 (0.70) 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