SCHEMBL12654650

SCHEMBL12654650

O=C(Nc1ccc(F)cn1)N1CCCOc2ccc(-c3cccc(Cl)c3)nc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 7/20 0.45
▸ CNR2 P34972 2/20 0.38
▸ GRM5 P41594 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL12653811 0.88 FGFR4 (0.43) FGFR4CNR2GRM5
SCHEMBL12654649 0.87 CNR2 (0.52) FGFR4CNR2GRM5MEN1KMT2A
SCHEMBL12654181 0.85 MPL (0.42) FGFR4CNR2GRM5CNR1ALDH1A1
SCHEMBL12654438 0.85 POLB (0.42) FGFR4CNR2GRM5MAPTMEN1
SCHEMBL12654123 0.85 GPR142 (0.39) CNR2MAPTCNR1
SCHEMBL12654207 0.84 FGFR4 (0.52) FGFR4IDO1
SCHEMBL12654437 0.84 CNR2 (0.41) CNR2SMN1; SMN2CNR1ALDH1A1
SCHEMBL12654651 0.84 FGFR4 (0.41) FGFR4CNR2KMT2ANPC1RAB9A
SCHEMBL16775936 0.83 FGFR4 (0.43) FGFR4CNR2GRM5MAPTMEN1
SCHEMBL12654219 0.83 FGFR4 (0.43) FGFR4CNR2GRM5CNR1IDO1

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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