SCHEMBL10244491

SCHEMBL10244491

COc1ccc2c(c1)CCn1c-2cc(OCCc2ccc(Oc3cncc(C(F)(F)F)c3)c(N)c2)nc1=O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 20/20 0.53
PDE4A P27815 1/20 0.44

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
SCHEMBL878192 0.90 GPR84 (0.51) GPR84
SCHEMBL878543 0.83 GPR84 (0.52) GPR84
SCHEMBL16188359 0.81 GPR84 (0.59) GPR84PDE4A
SCHEMBL883770 0.81 GPR84 (0.55) GPR84PDE4A
SCHEMBL883810 0.81 GPR84 (0.56) GPR84PDE4A
SCHEMBL877486 0.80 GPR84 (0.52) GPR84
SCHEMBL10245418 0.79 GPR84 (0.53) GPR84
SCHEMBL883536 0.79 GPR84 (0.65) GPR84PDE4A
SCHEMBL878242 0.79 GPR84 (0.53) GPR84
SCHEMBL883765 0.78 GPR84 (0.57) GPR84PDE4A

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
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed