SCHEMBL1801191

SCHEMBL1801191

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.54
P2RY1 P47900 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL1801522 1.00 PTGDR2 (0.54) PTGDR2P2RY1MEN1KMT2ALMNA
SCHEMBL1799186 1.00 PTGDR2 (0.54) PTGDR2P2RY1MEN1KMT2ALMNA
SCHEMBL1799873 0.95 PTGDR2 (0.59) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1799871 0.95 PTGDR2 (0.59) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1799875 0.95 PTGDR2 (0.59) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1797600 0.93 PTGDR2 (0.53) PTGDR2P2RY1MEN1KMT2ALMNA
SCHEMBL12618154 0.93 PTGDR2 (0.53) PTGDR2P2RY1MEN1KMT2ALMNA
SCHEMBL1799086 0.93 PTGDR2 (0.63) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1801326 0.93 PTGDR2 (0.63) PTGDR2P2RY1MEN1KMT2A
SCHEMBL1799087 0.93 PTGDR2 (0.63) 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