SCHEMBL8925989

SCHEMBL8925989

COc1ccc(OC[C@@H]2CNCCO2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.66
HTR2A P28223 4/20 0.58
SLC6A4 P31645 4/20 0.58
SLC6A2 P23975 2/20 0.58
HTR2B P41595 2/20 0.58
SLC6A3 Q01959 2/20 0.58
ADRB2 P07550 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA1A P35348 1/20 0.58
TDP1 Q9NUW8 1/20 0.51
DRD4 P21917 4/20 0.51
PKM P14618 1/20 0.50
HRH1 P35367 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR3A P46098 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
CHEK1 O14757 2/20 0.45
EPHA2 P29317 3/20 0.43

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
SCHEMBL8925985 1.00 ADRA2C (0.66) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL1698274 0.86 ADRA2C (0.64) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL21254322 0.85 SLC6A4 (0.55) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL21254631 0.85 HTR2A (0.58) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL21254330 0.85 SLC6A4 (0.55) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL8926000 0.85 HTR2A (0.55) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL8926009 0.85 HTR2A (0.55) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL31712324 0.85 HTR2A (0.55) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL2924439 0.84 HTR2A (0.65) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL2925939 0.84 HTR2A (0.65) ADRA2CHTR2ASLC6A4SLC6A2HTR2B

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-5614518-A Morpholine derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME LTD. (GB) 1997-03-25 US disclosed