SCHEMBL4948641

SCHEMBL4948641

O=C(Nc1ccnc(N2CCN(C3CCCC3)CC2)c1)ON1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.45
PPARG P37231 1/20 0.43
PIK3CA P42336 2/20 0.41
MAPK13 O15264 2/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
MAPK14 Q16539 2/20 0.37
ACVR1 Q04771 1/20 0.37
HSPB1 P04792 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL4950777 0.92 HRH3 (0.45) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4949845 0.91 HRH3 (0.43) HRH3PPARGGRIN2DGRIN3BGRIN1
SCHEMBL4950151 0.91 HRH3 (0.44) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4949632 0.91 HRH3 (0.44) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4947825 0.88 HRH3 (0.44) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4947016 0.87 KIF18A (0.44) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4948551 0.85 HRH3 (0.41) HRH3LMNAL3MBTL1GRIN2DGRIN3B
SCHEMBL4947619 0.85 GRIN2D (0.51) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4950028 0.83 HRH3 (0.42) HRH3LMNAGRIN2DGRIN3BGRIN1
SCHEMBL4949370 0.82 HRH3 (0.46) HRH3GRIN2DGRIN3BGRIN1GRIN2A

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-1828134-B1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS HOFFMANN LA ROCHE (CH) 2008-10-29 EP claimed