SCHEMBL9588013

SCHEMBL9588013

c1ccc(C(CC2=NCCN2)c2cc3ccccc3o2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.52
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
CYP2D6 P10635 4/20 0.48
ADRA2A P08913 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
CYP1A2 P05177 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TAAR1 Q96RJ0 4/20 0.40
NFKB1 P19838 1/20 0.40
ADRA1A P35348 4/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1B P35368 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
HTR1A P08908 1/20 0.37

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
SCHEMBL7548321 0.82 NISCH (0.66) NISCHMAOAMAOBCYP2D6ADRA2A
Midaglizole SCHEMBL114554 0.79 NISCH (0.74) NISCHMAOAMAOBCYP2D6ADRA2A
Midaglizole SCHEMBL30029057 0.79 NISCH (0.74) NISCHMAOAMAOBCYP2D6ADRA2A
Midaglizole SCHEMBL9403180 0.77 NISCH (0.72) NISCHMAOAMAOBCYP2D6ADRA2A
Midaglizole SCHEMBL752697 0.77 NISCH (0.72) NISCHMAOAMAOBCYP2D6ADRA2A
SCHEMBL7550085 0.76 NISCH (0.51) NISCHMAOAMAOBCYP2D6ADRA2A
SCHEMBL7547444 0.76 NISCH (0.51) NISCHMAOAMAOBCYP2D6ADRA2A
SCHEMBL9588018 0.76 NISCH (0.48) NISCHMAOAMAOBCYP2D6ADRA2A
SCHEMBL7547494 0.75 NISCH (0.50) NISCHMAOAMAOBCYP2D6ADRA2A
SCHEMBL7548769 0.74 NISCH (0.51) NISCHMAOAMAOBCYP2D6ADRA2A

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
US-5262430-A Antidiabetic agent lowers blood glucose in mammals in type 2 non insulin dependent diabetes NOVO NORDISK A/S (DK) 1993-11-16 US disclosed