SCHEMBL18949159

SCHEMBL18949159

CCCC(C)(CC)c1cnc2c(c1)CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.35
ADRA2B P18089 3/20 0.35
ADRA2C P18825 3/20 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
SCHEMBL19682255 0.91 ADRA2A (0.39) ADRA2AADRA2BADRA2C
SCHEMBL22353466 0.87 CNR1 (0.34) ADRA2AADRA2BADRA2C
SCHEMBL22353570 0.85 ADRA2A (0.37) ADRA2AADRA2BADRA2C
SCHEMBL18949127 0.82 CNR1 (0.34) ADRA2AADRA2BADRA2C
SCHEMBL19682136 0.82 CNR1 (0.34) ADRA2AADRA2BADRA2C
SCHEMBL18949087 0.82 ADRA2A (0.39) ADRA2AADRA2BADRA2C
SCHEMBL18949084 0.82 ADRA2A (0.39) ADRA2AADRA2BADRA2C
SCHEMBL18949167 0.78 ADRA2A (0.42) ADRA2AADRA2BADRA2C
SCHEMBL18949157 0.78 ADRA2A (0.42) ADRA2AADRA2BADRA2C
SCHEMBL18949217 0.78 ADRA2A (0.42) 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-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 US disclosed