SCHEMBL9788263

SCHEMBL9788263

Cc1cc(O)c(C)c(NC2=NCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.41
ADRA2A P08913 5/20 0.40
ADRA1A P35348 5/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ACHE P22303 1/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
GMNN O75496 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
OPRK1 P41145 1/20 0.32
HIF1A Q16665 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
SELL P14151 1/20 0.31
SELP P16109 1/20 0.31
SELE P16581 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
SCHEMBL7047787 0.84 CFB (0.46) CFBADRA2AADRA1ATAAR1ADRA2B
SCHEMBL9788288 0.83 CFB (0.38) CFBADRA2AADRA1ATAAR1ADRA2B
SCHEMBL9788341 0.83 CFB (0.38) CFBADRA2AADRA1ATAAR1ADRA2B
SCHEMBL9788321 0.79 TAAR1 (0.48) CFBADRA2AADRA1ATAAR1ADRA2B
SCHEMBL9788317 0.79 CFB (0.44) CFBADRA2AADRA1ATAAR1ADRA2B
SCHEMBL9788278 0.79 CFB (0.44) CFBADRA2AADRA1ATAAR1ADRA2B
SCHEMBL9788328 0.77 ADRA2A (0.45) CFBADRA2AADRA1ATAAR1ADRA2B
SCHEMBL9788332 0.76 CFB (0.50) CFBADRA2AADRA1ATAAR1ADRA2B
SCHEMBL9788308 0.76 CFB (0.53) CFBADRA2AADRA1ATAAR1ADRA2B
SCHEMBL9788291 0.73 TAAR1 (0.45) CFBADRA2AADRA1ATAAR1ADRA2B

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