SCHEMBL8239028

SCHEMBL8239028

CC1C[C@H](c2ncc[nH]2)c2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 18/20 0.50
NISCH Q9Y2I1 1/20 0.49
ADRA2A P08913 3/20 0.48
ADRA1D P25100 3/20 0.48
ADRA1B P35368 2/20 0.48

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
SCHEMBL779713 1.00 ADRA1A (0.50) ADRA1ANISCHADRA2AADRA1DADRA1B
SCHEMBL779724 1.00 ADRA1A (0.50) ADRA1ANISCHADRA2AADRA1DADRA1B
SCHEMBL768928 1.00 ADRA1A (0.50) ADRA1ANISCHADRA2AADRA1DADRA1B
SCHEMBL768901 0.75 ADRA1A (0.58) ADRA1ANISCHADRA2AADRA1DADRA1B
SCHEMBL769246 0.75 ADRA1A (0.48) ADRA1ANISCHADRA2AADRA1DADRA1B
SCHEMBL769091 0.70 NISCH (0.55) ADRA1ANISCHADRA2AADRA1DADRA1B
SCHEMBL787224 0.70 NISCH (0.55) ADRA1ANISCHADRA2AADRA1DADRA1B
SCHEMBL779851 0.70 NISCH (0.55) ADRA1ANISCHADRA2AADRA1DADRA1B
SCHEMBL787051 0.70 NISCH (0.55) ADRA1ANISCHADRA2AADRA1DADRA1B
SCHEMBL8240928 0.70 NISCH (0.55) ADRA1ANISCHADRA2AADRA1DADRA1B

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-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed