SCHEMBL876131

SCHEMBL876131

CN(C(=O)c1ccc2c(c1)C(N1C=NC=C(OC(=O)O)C1)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
F10 P00742 3/20 0.33
MCHR1 Q99705 1/20 0.33
CCR5 P51681 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
SLC2A1 P11166 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
KCNH2 Q12809 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
SCHEMBL878508 0.95 F10 (0.34) POLBF10MCHR1CCR5JAK2
SCHEMBL875758 0.89 F10 (0.34) POLBF10MCHR1CCR5JAK2
SCHEMBL876268 0.86 F10 (0.34) POLBF10MCHR1CCR5
SCHEMBL878362 0.86 TLR9 (0.36) POLBF10JAK2JAK1
SCHEMBL876499 0.80 SLC2A1 (0.35) POLBF10MCHR1CCR5JAK2
SCHEMBL876130 0.78 POLB (0.35) POLBF10MCHR1CCR5JAK2
SCHEMBL876715 0.78 CCR5 (0.37) POLBF10MCHR1CCR5JAK2
SCHEMBL876498 0.77 SLC2A1 (0.38) POLBF10MCHR1CCR5JAK2
SCHEMBL878284 0.77 F10 (0.39) F10
SCHEMBL784878 0.77 ACHE (0.43) POLBF10MCHR1CCR5JAK2

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