SCHEMBL10537828

SCHEMBL10537828

C(CCC(C1=NCCO1)C1=NCCO1)CC1=NCCO1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL10538294 0.98
SCHEMBL6576319 0.95 ADRA2A (0.31) ADRA2AADRA2BADRA2C
SCHEMBL8100084 0.87 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL22996583 0.85 ADRA2A (0.34) ADRA2AADRA2BADRA2C
SCHEMBL10537773 0.82
SCHEMBL351887 0.81 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL471908 0.79 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL381129 0.79 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL10410293 0.79 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL9003861 0.79 ADRA2A (0.32) ADRA2AADRA2BADRA2C

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
US-4806588-A BLEND OF PET, POLYETHERS, BLOCK POLYMERS, IONOMERS, OXAZOLINE COMPOUNDS, POLYESTER ELASTOMERS, GLASS FIBERS TOYO BOSEKI KABUSHIKI KAISHA (JP) 1989-02-21 US disclosed