SCHEMBL29801233

SCHEMBL29801233

CC1(C)OB(c2cnn(Cc3cccc(N4CCCC4)n3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
PDE10A Q9Y233 13/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
TRPV3 Q8NET8 2/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37

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
SCHEMBL16754201 1.00 FFAR1 (0.44) FFAR1PDE10AIRAK4TRPV3HCRTR1
SCHEMBL16754205 0.81 PDE10A (0.45) PDE10ATRPV3HCRTR1HCRTR2
SCHEMBL29801610 0.81 PDE10A (0.45) PDE10ATRPV3HCRTR1HCRTR2
SCHEMBL15885161 0.81 FFAR1 (0.50) FFAR1IRAK4
SCHEMBL17247588 0.80 FFAR1 (0.52) FFAR1IRAK4
SCHEMBL14857490 0.79 PDE10A (0.42) PDE10ATRPV3HCRTR1HCRTR2
SCHEMBL29801219 0.79 PDE10A (0.42) PDE10ATRPV3HCRTR1HCRTR2
SCHEMBL15885095 0.78 FFAR1 (0.47) FFAR1IRAK4
SCHEMBL18996856 0.77 FFAR1 (0.49) FFAR1IRAK4
SCHEMBL20401337 0.76 FFAR1 (0.51) FFAR1IRAK4

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
CN-109535155-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2022-07-12 CN disclosed