SCHEMBL5132181

SCHEMBL5132181

COc1ccc2c(c1OCc1ccccc1)CCN(C(=O)Cc1c(Cl)cccc1Cl)C2

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 9/20 0.68
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
AGTR1 P30556 2/20 0.47
PDE4D Q08499 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.46
MEN1 O00255 1/20 0.46
ACACB O00763 1/20 0.45

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
SCHEMBL23315583 0.89 NPC1 (0.62) AGTR2KMT2ANPC1AGTR1PTGDR2
SCHEMBL11747939 0.83 AGTR2 (0.53) AGTR2KMT2ANPC1AGTR1ACACB
SCHEMBL3517931 0.81 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL8964042 0.81 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL16039389 0.79 AGTR2 (0.52) AGTR2AGTR1PTGDR2ACACB
SCHEMBL21796225 0.79 AGTR2 (0.66) AGTR2AGTR1ACACB
SCHEMBL17607347 0.77 ACACB (0.49) AGTR2KMT2ANPC1AGTR1ACACB
SCHEMBL3531595 0.76 AGTR2 (0.68) AGTR2KMT2ANPC1AGTR1MEN1
SCHEMBL23315440 0.76 KMT2A (0.51) AGTR2KMT2ANPC1PTGDR2MEN1
SCHEMBL11743922 0.75 AGTR2 (0.50) AGTR2AGTR1PDE4DACACB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996183-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2008-12-03 EP disclosed
WO-2007106938-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-27 WO disclosed