SCHEMBL9788339

SCHEMBL9788339

CCc1cc(NC2=NCCO2)c(CC)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.36
ADRA2B P18089 6/20 0.36
ADRA2C P18825 6/20 0.36
ADRA1A P35348 5/20 0.36
CFB P00751 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HSP90AA1 P07900 4/20 0.33
MAPT P10636 5/20 0.31
KDM4E B2RXH2 4/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
MAPK1 P28482 3/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
HTT P42858 2/20 0.31
MCL1 Q07820 2/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 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
SCHEMBL9788287 0.89 CFB (0.40) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL9788300 0.89 CFB (0.40) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL9788271 0.82 TNIK (0.45) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL9788288 0.75 CFB (0.38) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL9788341 0.75 CFB (0.38) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL9788289 0.75 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL9788292 0.73 TAAR1 (0.42) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL9788276 0.72 CFB (0.46) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL9788343 0.72 TAAR1 (0.44) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL9788281 0.72 ADRA2A (0.40) 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-5066664-A Control of intraocular bleeding and pressure ALLERGAN, INC. (US) 1991-11-19 US disclosed