SCHEMBL12654664

SCHEMBL12654664

O=C(Nc1ccncc1F)N1CCCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 6/20 0.42
▸ HTR2C P28335 5/20 0.41
▸ HTR2A P28223 4/20 0.41
▸ HTR2B P41595 1/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ CYP11B2 P19099 1/20 0.36

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
SCHEMBL12653836 0.94 HTR2C (0.47) FGFR4HTR2CHTR2AHTR2BHDAC1
SCHEMBL12654524 0.89 FGFR4 (0.40) FGFR4HTR2CHTR2AHTR2BHDAC1
SCHEMBL12654192 0.88 FGFR4 (0.40) FGFR4HTR2CHTR2AHTR2BTRPV1
SCHEMBL12654530 0.87 CA2 (0.44) FGFR4HTR2CHTR2AHTR2BKMO
SCHEMBL16775848 0.87 CPT2 (0.37) FGFR4HTR2CHTR2AHDAC1HDAC2
SCHEMBL16775822 0.86 TRPV1 (0.37) FGFR4HTR2CHTR2AHDAC1HDAC2
SCHEMBL19670295 0.85 HTR2C (0.39) FGFR4HTR2CHTR2AHTR2BHDAC1
SCHEMBL12654400 0.84 P2RX1 (0.46) FGFR4HTR2CHTR2AHTR2BKMO
SCHEMBL12654621 0.84 CYP11B2 (0.40) HTR2CHTR2AHTR2BHDAC1HDAC2
SCHEMBL12654666 0.84 FGFR4 (0.49) FGFR4HTR2CHTR2AKMOCA2

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
Send feedback