SCHEMBL17887784

SCHEMBL17887784

CC#CCC(Oc1cccc(Br)c1)C1=NCCN1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.45
▸ MAOB P27338 3/20 0.45
▸ ADRA2A P08913 14/20 0.42
▸ ADRA2B P18089 14/20 0.42
▸ ADRA2C P18825 14/20 0.42
▸ NISCH Q9Y2I1 3/20 0.42
▸ HTR1A P08908 2/20 0.39
▸ SLC6A4 P31645 2/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 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
SCHEMBL17887783 0.86 ADRA2A (0.58) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL17887782 0.70 ADRA2A (0.49) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL952743 0.66 ADRA2A (0.59) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL957261 0.65 MAOA (0.43) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL17887596 0.64 MAOA (0.59) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL3717495 0.63 ADRA2B (0.57) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL545847 0.63 NISCH (0.50) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL17887786 0.61 ADRA2A (0.65) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL17887853 0.61 ADRA2A (1.00) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL1204347 0.60 NPC1 (0.49) MAOB

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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