SCHEMBL12654653

SCHEMBL12654653

O=C(Nc1cccnc1)N1CCCC(F)(F)c2ccc(-c3cccc(Cl)c3)nc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 14/20 0.48
▸ HTR2C P28335 14/20 0.48
▸ TSHR P16473 1/20 0.46
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ FAAH O00519 2/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ HTR2B P41595 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
SCHEMBL12654652 0.91 CNR2 (0.39) HTR2AHTR2CTP53FAAH
SCHEMBL12654654 0.87 CNR1 (0.39) TP53FAAH
SCHEMBL12654410 0.87 CNR2 (0.36) HTR2AHTR2CTSHRMAPTFAAH
SCHEMBL12654217 0.85 HTR2C (0.56) HTR2AHTR2CTSHRTP53POLB
SCHEMBL12654655 0.85 TP53 (0.40) TP53MAPTFAAH
SCHEMBL1812181 0.84 MPL (0.41) FAAHCYP11B2
SCHEMBL12653784 0.84 CNR2 (0.51) TP53FAAH
SCHEMBL12654219 0.83 FGFR4 (0.43) CYP11B2
SCHEMBL12654413 0.82 GRM5 (0.45) —
SCHEMBL1811047 0.82 HTR2C (0.50) HTR2AHTR2CTSHRTP53POLB

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