SCHEMBL6255455

SCHEMBL6255455

CCCc1ccccc1N=C1NCCNC1=Nc1cc(C(C)(C)C)ccc1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
ADRA1D P25100 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
CNR2 P34972 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
SCHEMBL6255450 1.00 ADRA2A (0.30) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL6253323 0.82 CNR2 (0.31) CNR2
SCHEMBL6253318 0.82 CNR2 (0.31) CNR2
SCHEMBL6255807 0.82 CNR2 (0.31) CNR2
SCHEMBL6255811 0.82 CNR2 (0.31) CNR2
SCHEMBL6253702 0.75 ADRA2B (0.34) ADRA2AADRA2BADRA2CCNR2
SCHEMBL5596587 0.74
SCHEMBL6256029 0.66 ADRA2B (0.37) ADRA2AADRA2BADRA2CCNR2
SCHEMBL6256030 0.66 ADRA2B (0.37) ADRA2AADRA2BADRA2CCNR2
SCHEMBL27582727 0.63 CYP3A4 (0.48) ADRA2AADRA2BADRA2CHTR1DCNR2

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-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed