SCHEMBL9559073

SCHEMBL9559073

c1ccc(NC2=NCCO2)c(Cc2ccccc2NC2=NCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.47
ADRA2B P18089 12/20 0.47
ADRA2C P18825 12/20 0.47
ADRA1A P35348 6/20 0.47
CFB P00751 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
KCNN4 O15554 1/20 0.34
GMNN O75496 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
OPRK1 P41145 1/20 0.34
HIF1A Q16665 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
DRD3 P35462 1/20 0.31

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
SCHEMBL7112481 0.83 ADRA2B (0.47) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL7047648 0.78 TAAR1 (0.56) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL7045608 0.77 TAAR1 (0.46) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL7043901 0.77 TAAR1 (0.43) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL2754359 0.75 HSD17B10 (0.51) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL14380995 0.74 CFB (0.45) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL1852745 0.73 CFB (0.49) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL7046036 0.72 TAAR1 (0.57) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL11185255 0.71 PTGS2 (0.47) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL7048853 0.71 TAAR1 (0.52) ADRA2AADRA2BADRA2CADRA1ACFB

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-5196531-A Poly(N-cyclic iminoether), process for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1993-03-23 US disclosed