SCHEMBL875679

SCHEMBL875679

CN(C(=O)c1ccc2c(c1)CCC2N1C=CC(C(F)(F)F)=C(C(=O)O)C1)C1CCN(c2ccncc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.34
SLC2A1 P11166 2/20 0.34
CCR5 P51681 1/20 0.34
PDK2 Q15119 4/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
POLB P06746 1/20 0.33
MCHR1 Q99705 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GHSR Q92847 1/20 0.31
ABL1 P00519 2/20 0.31
PDGFRB P09619 2/20 0.31
KIT P10721 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL876436 0.94 SLC2A1 (0.35) F10SLC2A1CCR5PDK2IRAK4
SCHEMBL876498 0.90 SLC2A1 (0.38) F10SLC2A1CCR5PDK2DPP4
SCHEMBL876159 0.86 NPC1 (0.35) F10SLC2A1CCR5PDK2IRAK4
SCHEMBL875502 0.85 ALDH1A1 (0.34) F10SLC2A1CCR5PDK2IRAK4
SCHEMBL878326 0.84 TLR9 (0.39) F10PDK2POLBTLR9TLR8
SCHEMBL875757 0.78 CCR5 (0.35) F10CCR5POLBMCHR1GHSR
SCHEMBL875680 0.77 F10 (0.33) F10SLC2A1CCR5PDK2IRAK4
SCHEMBL877792 0.77 BDKRB1 (0.40) F10SLC2A1
SCHEMBL875758 0.76 F10 (0.34) F10CCR5POLBMCHR1GHSR
SCHEMBL786045 0.76 CCR5 (0.42) F10CCR5POLBMCHR1JAK2

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
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP claimed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO claimed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed