SCHEMBL3846958

SCHEMBL3846958

O=C(O)N(Cc1ccccc1)C[C@H]1CCN(CCn2c(=O)ccc3ccc(F)cc32)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
OPRM1 P35372 2/20 0.39
CCR3 P51677 2/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL4294797 0.79 KCNH2 (0.42) GAALMNA
SCHEMBL3861905 0.78 BPTF (0.41)
SCHEMBL6128617 0.73 OPRM1 (0.51) OPRM1
SCHEMBL707961 0.72 KCNH2 (0.40) OPRM1CCR3
SCHEMBL921593 0.72 CNR2 (0.46) CCR3
SCHEMBL4294672 0.72 HTR7 (0.38) OPRM1CCR3
SCHEMBL706822 0.71 KCNH2 (0.43)
SCHEMBL4296917 0.71 KCNH2 (0.38) CCR3
SCHEMBL4298230 0.71 KCNH2 (0.38) CCR3
SCHEMBL4296644 0.71 GRIN1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed