SCHEMBL5497430

SCHEMBL5497430

COc1ccc(C(=O)N2c3ccccc3[C@H](N)C[C@H]2C)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.65
P2RY1 P47900 3/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4124332 1.00 PTGDR2 (0.65) PTGDR2P2RY1MEN1KMT2A
SCHEMBL4116661 1.00 PTGDR2 (0.65) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1801726 0.87 PTGDR2 (0.61) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1801724 0.87 PTGDR2 (0.61) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1801725 0.87 PTGDR2 (0.61) PTGDR2P2RY1MEN1KMT2A
SCHEMBL4128957 0.87 PTGDR2 (0.67) PTGDR2
SCHEMBL4128960 0.87 PTGDR2 (0.67) PTGDR2
SCHEMBL12617633 0.85 PTGDR2 (0.69) PTGDR2P2RY1MEN1KMT2A
SCHEMBL5262719 0.85 PTGDR2 (0.69) PTGDR2P2RY1MEN1KMT2A
SCHEMBL5315478 0.85 PTGDR2 (0.69) PTGDR2P2RY1MEN1KMT2A

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