SCHEMBL17887782

SCHEMBL17887782

CC#CCC(Oc1ccccc1-c1ccccc1OCC(C)C)C1=NCCN1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 20/20 0.49
▸ ADRA2B P18089 20/20 0.49
▸ ADRA2C P18825 20/20 0.49
▸ MAOA P21397 3/20 0.47
▸ MAOB P27338 3/20 0.47
▸ NISCH Q9Y2I1 2/20 0.47

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
SCHEMBL17887785 0.82 ADRA2A (0.71) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL17887786 0.81 ADRA2A (0.65) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL17887783 0.77 ADRA2A (0.58) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL17887784 0.70 MAOA (0.45) ADRA2AADRA2BADRA2CMAOAMAOB
Biphenyline SCHEMBL29519295 0.65 ADRA2A (1.00) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL9640404 0.65 ADRA2B (0.65) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL545847 0.65 NISCH (0.50) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL17887596 0.64 MAOA (0.59) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL9201690 0.63 ADRA2B (0.67) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL9199669 0.62 ADRA2B (0.64) ADRA2AADRA2BADRA2CMAOAMAOB

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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