SCHEMBL4419771

SCHEMBL4419771

CC(=O)On1ccc2c(-c3nc(Cn4cc(C(c5ccccc5)c5ccccc5)ccc4=O)co3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 7/20 0.36
▸ DRD2 P14416 3/20 0.31
▸ DRD4 P21917 3/20 0.31
▸ DRD3 P35462 3/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL3166424 0.86 PTGDR2 (0.36) PTGDR2DRD2DRD4DRD3
SCHEMBL3165132 0.86 PTGDR2 (0.37) PTGDR2
SCHEMBL12678732 0.84 POLB (0.37) PTGDR2MAPT
SCHEMBL4415546 0.81 PTGDR2 (0.42) PTGDR2MAPT
SCHEMBL3159313 0.77 PTGDR2 (0.34) PTGDR2DRD2DRD4DRD3
SCHEMBL4413606 0.76 PTGDR2 (0.43) PTGDR2
SCHEMBL4419630 0.75 PTGDR2 (0.51) PTGDR2MAPT
SCHEMBL4414924 0.75 PTGDR2 (0.52) PTGDR2MAPT
SCHEMBL4418310 0.74 PTPN1 (0.32) —
SCHEMBL4416672 0.74 PTGDR2 (0.47) PTGDR2

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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — WO disclosed
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