SCHEMBL12654640

SCHEMBL12654640

O=C(Nc1ncccn1)N1CCCc2ccc(-c3cccc(Cl)c3)nc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 12/20 0.48
▸ CNR2 P34972 2/20 0.43
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KMO O15229 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40

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
SCHEMBL12654216 0.89 FGFR4 (0.62) FGFR4CNR2
SCHEMBL12654633 0.88 FGFR4 (0.48) FGFR4KMONPY5RCYP11B2
SCHEMBL17655360 0.87 CREBBP (0.44) FGFR4CNR2CNR1TP53GAA
SCHEMBL12653785 0.87 FGFR4 (0.59) FGFR4CNR2CNR1
SCHEMBL12654639 0.85 FGFR4 (0.49) FGFR4KMONPY5R
SCHEMBL12654217 0.85 HTR2C (0.56) TP53CYP11B2
SCHEMBL1812175 0.84 CNR1 (0.43) FGFR4CNR2CNR1TP53GAA
SCHEMBL12653754 0.84 CNR1 (0.48) FGFR4KMOCNR1TP53GAA
SCHEMBL12654437 0.83 CNR2 (0.41) CNR2KMONPY5RCNR1TP53
SCHEMBL17655398 0.83 FGFR4 (0.47) FGFR4CNR2CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
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