SCHEMBL18754159

SCHEMBL18754159

C=Cc1c(C)ccnc1/C=C\CC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.34
NOS3 P29474 3/20 0.34
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 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
SCHEMBL26849033 0.84 CCR1 (0.32) NOS2NOS3CCR1CCR5CCR8
SCHEMBL10426329 0.83 CCR1 (0.37) NOS2NOS3CCR1CCR5CCR8
SCHEMBL8432596 0.78 MLYCD (0.36)
SCHEMBL8437176 0.78 GRM4 (0.45)
SCHEMBL19621113 0.75 PDXK (0.30) PDXK
SCHEMBL15417589 0.74 CCR1 (0.39) NOS2NOS3CCR1CCR5CCR8
SCHEMBL19365338 0.72
SCHEMBL25627501 0.72 CCR1 (0.38) NOS2NOS3CCR1CCR5CCR8
SCHEMBL22239425 0.72 NOS3 (0.42) NOS2NOS3
SCHEMBL26219999 0.71 FGF23 (0.38)

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-2532657-B9 Compounds and methods of use SUNSHINE LAKE PHARMA CO LTD (CN) 2017-04-19 EP disclosed