SCHEMBL16275012

SCHEMBL16275012

CC(C)(C)N(Cc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 8/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ SDHB P21912 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ MKNK1 Q9BUB5 2/20 0.35
▸ MKNK2 Q9HBH9 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ CXCR3 P49682 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ MME P08473 1/20 0.34

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
SCHEMBL5435836 0.81 MAPT (0.50) PTGDR2MAPTALDH1A1SMN1; SMN2SDHB
SCHEMBL27690837 0.80 MAPT (0.44) PTGDR2MAPTALDH1A1SMN1; SMN2SDHB
SCHEMBL5430785 0.80 MAPT (0.44) PTGDR2MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL5439772 0.79 MAPT (0.44) PTGDR2MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL5437175 0.79 MAPT (0.50) PTGDR2MAPTSDHBMKNK1MKNK2
SCHEMBL5184935 0.79 MAPT (0.52) PTGDR2MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL27690836 0.79 MAPT (0.45) PTGDR2MAPTALDH1A1SMN1; SMN2SDHB
SCHEMBL5439379 0.77 MAPT (0.46) PTGDR2MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL5440937 0.77 MAPT (0.50) PTGDR2MAPTSMN1; SMN2SDHBMKNK1
SCHEMBL5430731 0.76 MAPT (0.45) PTGDR2MAPTALDH1A1SMN1; SMN2GAA

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
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 — — EP claimed
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