SCHEMBL16854579

SCHEMBL16854579

CCC(COCCOCCOC)OCCN

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TLR2 O60603 3/20 0.33
DNM1 Q05193 1/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
PLA2G2C Q5R387 1/20 0.31
HTT P42858 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL16826754 0.90 LPAR1 (0.34) CYP3A4TLR2DNM1LPAR1LPAR3
SCHEMBL19225042 0.88 LPAR1 (0.35) LPAR1LPAR3
SCHEMBL17642246 0.88 LPAR1 (0.35) LPAR1LPAR3
SCHEMBL16473879 0.88 LPAR1 (0.35) LPAR1LPAR3
SCHEMBL18289971 0.85 LPAR1 (0.33) CYP3A4TLR2DNM1LPAR1LPAR3
SCHEMBL16854578 0.81 MEN1 (0.38) LPAR1LPAR3HTT
SCHEMBL26927738 0.81 LPAR1 (0.44) CYP3A4TLR2DNM1LPAR1LPAR3
SCHEMBL16473878 0.80 LPAR1 (0.34) LPAR1LPAR3
SCHEMBL26927636 0.79 LPAR1 (0.50) TLR2DNM1LPAR1LPAR3HTT
SCHEMBL28278162 0.78 PRKD3 (0.38) CYP3A4LPAR1LPAR3CA2

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-2015092819-A2 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5- AMINE NEKTAR THERAPEUTICS (INDIA) PVT. LTD. (IN) 2015-06-25 WO disclosed