SCHEMBL9788321

SCHEMBL9788321

Cc1c(O)cccc1NC1=NCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
CFB P00751 1/20 0.44
ADRA2A P08913 11/20 0.43
ADRA1A P35348 8/20 0.43
ADRA2B P18089 8/20 0.41
ADRA2C P18825 8/20 0.41
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
MAPK8 P45983 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
RAF1 P04049 1/20 0.33

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
SCHEMBL9788328 0.86 ADRA2A (0.45) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL7046036 0.84 TAAR1 (0.57) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788292 0.81 TAAR1 (0.42) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL7045608 0.79 TAAR1 (0.46) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788302 0.79 TAAR1 (0.40) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788263 0.79 CFB (0.41) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788291 0.79 TAAR1 (0.45) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL7047648 0.78 TAAR1 (0.56) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788294 0.77 ADRA2A (0.40) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788281 0.77 ADRA2A (0.40) TAAR1CFBADRA2AADRA1AADRA2B

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-5066664-A Control of intraocular bleeding and pressure ALLERGAN, INC. (US) 1991-11-19 US disclosed