SCHEMBL1800760

SCHEMBL1800760

CCN(C(=O)C1CC(C)N(C(=O)c2ccc(OC)cc2)c2ccccc21)c1ccc(C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.54
P2RY1 P47900 2/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL12617925 1.00 PTGDR2 (0.54) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1799562 1.00 PTGDR2 (0.54) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1799873 0.95 PTGDR2 (0.59) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1799871 0.95 PTGDR2 (0.59) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1799875 0.95 PTGDR2 (0.59) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1799086 0.93 PTGDR2 (0.63) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1799087 0.93 PTGDR2 (0.63) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1801326 0.93 PTGDR2 (0.63) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1800669 0.92 PTGDR2 (0.55) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1800671 0.92 PTGDR2 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed