SCHEMBL17887785

SCHEMBL17887785

CC(C)COc1ccccc1-c1ccccc1OC(C)C1=NCCN1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 19/20 0.71
▸ ADRA2B P18089 19/20 0.71
▸ ADRA2C P18825 19/20 0.71
▸ NISCH Q9Y2I1 4/20 0.69
▸ MAOA P21397 3/20 0.69
▸ MAOB P27338 3/20 0.69
▸ HTR1A P08908 1/20 0.61

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
SCHEMBL17887786 0.83 ADRA2A (0.65) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL17887782 0.82 ADRA2A (0.49) ADRA2AADRA2BADRA2CNISCHMAOA
Biphenyline SCHEMBL29519295 0.82 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL17722365 0.77 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL17887853 0.72 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHMAOA
Hydrochloric Acid SCHEMBL9654915 0.71 NISCH (0.77) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL17722364 0.71 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL14645137 0.71 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL29598740 0.71 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL10978713 0.70 NISCH (0.67) ADRA2AADRA2BADRA2CNISCHMAOA

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-2016105448-A1 IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS RIDEOUT DARRYL (US) 2016-06-30 — — WO disclosed
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