SCHEMBL8155449

SCHEMBL8155449

Bc1ccc(OCC2=NCCN2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.60
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
HTR1A P08908 4/20 0.45
ADRA2A P08913 4/20 0.45
ADRA2B P18089 4/20 0.45
ADRA2C P18825 4/20 0.45
ADRA1A P35348 5/20 0.43
ADRA1D P25100 3/20 0.43
ADRA1B P35368 3/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41

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
Fenmetozole SCHEMBL635495 0.87 NISCH (0.65) NISCHMAOAMAOBHTR1AADRA2A
Fenmetozole SCHEMBL30295426 0.87 NISCH (0.65) NISCHMAOAMAOBHTR1AADRA2A
Fenmetozole SCHEMBL29913217 0.86 NISCH (0.63) NISCHMAOAMAOBHTR1AADRA2A
Fenmetozole SCHEMBL635494 0.86 NISCH (0.63) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3178323 0.83 NISCH (0.60) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3173356 0.83 NISCH (0.60) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL11265808 0.81 NISCH (0.60) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3172922 0.79 NISCH (0.71) NISCHMAOAMAOBHTR1AADRA2A
Hydrochloric Acid SCHEMBL11251146 0.78 NISCH (0.69) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3173653 0.77 NISCH (0.68) NISCHMAOAMAOBHTR1AADRA2A

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-2009003868-A2 2 -IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 WO disclosed