SCHEMBL3967602

SCHEMBL3967602

CCOC(=O)Cc1c(C)c(Cc2cccn2S(=O)(=O)c2ccc(C(C)C)cc2)n2cc(C#N)ccc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PPME1 Q9Y570 1/20 0.33
POLB P06746 1/20 0.31
HTR6 P50406 4/20 0.31

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
SCHEMBL3968885 0.94 PPME1 (0.37) RAPGEF4PTGDR2PPME1POLBHTR6
SCHEMBL3967149 0.92 RAPGEF4 (0.42) RAPGEF4PTGDR2PPME1POLB
SCHEMBL3973994 0.91 PTGDR2 (0.40) RAPGEF4PTGDR2PPME1POLBHTR6
SCHEMBL3967733 0.91 PTGDR2 (0.40) RAPGEF4PTGDR2PPME1
SCHEMBL3972665 0.91 PTGDR2 (0.38) RAPGEF4PTGDR2PPME1HTR6
SCHEMBL3967117 0.89 POLB (0.36) RAPGEF4PTGDR2PPME1POLBHTR6
SCHEMBL3967784 0.87 RAPGEF4 (0.35) RAPGEF4PTGDR2PPME1POLBHTR6
SCHEMBL3968063 0.87 HTR6 (0.34) RAPGEF4PTGDR2PPME1POLBHTR6
SCHEMBL3964361 0.85 CYP3A4 (0.36) RAPGEF4PTGDR2
SCHEMBL3968730 0.84 PTGDR2 (0.42) RAPGEF4PTGDR2PPME1HTR6

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
WO-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed