SCHEMBL17580368

SCHEMBL17580368

CC(C)Oc1cc(C2CCN(C3CC3)CC2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 7/20 0.39
ADRA1A P35348 7/20 0.39
ADRA1B P35368 7/20 0.39
DRD2 P14416 4/20 0.39
MAP3K12 Q12852 2/20 0.39
CCR5 P51681 2/20 0.38
QDPR P09417 1/20 0.38
SLC18A3 Q16572 1/20 0.37
CAMK2D Q13557 1/20 0.37
TLR9 Q9NR96 3/20 0.36
TLR8 Q9NR97 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
PTGDR Q13258 1/20 0.36
HTR1A P08908 1/20 0.36
GRIN2B Q13224 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL12705417 0.92 QDPR (0.46) MAP3K12CCR5QDPRTLR9TLR8
SCHEMBL12705251 0.86 QDPR (0.52) CCR5QDPRTLR9TLR8TLR7
SCHEMBL17580522 0.85 CCR5 (0.39) CCR5QDPRTLR9TLR8TLR7
SCHEMBL15283319 0.81 HTR1A (0.44) DRD2CCR5QDPRHTR1A
SCHEMBL12705399 0.80 SLC18A3 (0.48) DRD2CCR5QDPRSLC18A3TLR9
SCHEMBL12705397 0.79 QDPR (0.44) QDPRSLC18A3TLR9TLR8TLR7
SCHEMBL12705532 0.78 PDE4A (0.48) CCR5PTGDRHTR1A
SCHEMBL12705535 0.78 CCR5 (0.47) CCR5TLR9TLR8TLR7PTGDR
SCHEMBL17580141 0.78 ADRA1D (0.40) ADRA1DADRA1AADRA1BDRD2CCR5
SCHEMBL25780589 0.78 SLC18A3 (0.46) QDPRSLC18A3TLR9TLR7GRIN2B

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-2834248-B1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-03-16 EP disclosed