SCHEMBL14421997

SCHEMBL14421997

C=Cc1cc(C)cnc1C=CC

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
PDXK O00764 1/20 0.30

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
SCHEMBL13771122 1.00 NOS2 (0.31) NOS2CCR1CCR5CCR8NOS3
SCHEMBL23732288 0.85 NOS2 (0.34) NOS2CCR1CCR5CCR8NOS3
SCHEMBL19622314 0.84 PDXK (0.37) NOS2CCR1CCR5CCR8NOS3
SCHEMBL18899112 0.82 PDXK (0.32) PDXK
SCHEMBL17865350 0.80 DYRK1A (0.31)
SCHEMBL7235627 0.76 NOS2 (0.45) NOS2CCR1CCR5CCR8NOS3
SCHEMBL7235622 0.76 NOS2 (0.45) NOS2CCR1CCR5CCR8NOS3
SCHEMBL11881227 0.74 CCR1 (0.37) NOS2CCR1CCR5CCR8NOS3
SCHEMBL18198308 0.73 NOS2 (0.42) NOS2CCR1CCR5CCR8NOS3
SCHEMBL19953987 0.73 NOS2 (0.31) NOS2CCR1CCR5CCR8NOS3

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-1057815-B1 CYCLIC AMIDE COMPOUNDS KOWA CO (JP) 2007-09-05 EP disclosed