SCHEMBL7997150

SCHEMBL7997150

COc1ccccc1Oc1c(N)nc(OCCN2CCCC2=O)nc1OCC1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.42
TNK2 Q07912 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
EDNRA P25101 7/20 0.38
PDE4A P27815 1/20 0.38
EDNRB P24530 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
AXL P30530 4/20 0.37
DHPS P49366 1/20 0.36

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
SCHEMBL7997147 0.92 GPR84 (0.40) GPR84TNK2MEN1KMT2AAXL
SCHEMBL7991615 0.90 GPR84 (0.42) GPR84ALDH1A1EDNRAPDE4AEDNRB
SCHEMBL7991613 0.81 GPR84 (0.40) GPR84ALDH1A1EDNRAEDNRBAXL
SCHEMBL7997005 0.77 EDNRA (0.52) EDNRADHPS
SCHEMBL7979130 0.74 GPR84 (0.39) GPR84ALDH1A1EDNRAEDNRBDHPS
SCHEMBL7993990 0.74 RAB9A (0.44) MEN1KMT2AALDH1A1EDNRAEDNRB
SCHEMBL7979093 0.73 ALDH1A1 (0.47) GPR84ALDH1A1EDNRAEDNRBDHPS
SCHEMBL7996807 0.73 DHPS (0.53) EDNRAEDNRBDHPS
SCHEMBL7979433 0.72 EDNRB (0.38) GPR84ALDH1A1EDNRAPDE4AEDNRB
SCHEMBL7997001 0.71 EDNRA (0.51) EDNRAEDNRB

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-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed