SCHEMBL9788291

SCHEMBL9788291

Cc1ccc(NC2=NCCO2)c(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
ADRA2A P08913 14/20 0.44
ADRA2C P18825 12/20 0.44
ADRA2B P18089 11/20 0.44
ADRA1A P35348 9/20 0.44
CFB P00751 1/20 0.44
ADRA1D P25100 3/20 0.35
ADRA1B P35368 3/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
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

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
SCHEMBL7044957 0.86 TAAR1 (0.48) TAAR1ADRA2AADRA2CADRA2BADRA1A
SCHEMBL9788328 0.83 ADRA2A (0.45) TAAR1ADRA2AADRA2CADRA2BADRA1A
SCHEMBL9788279 0.83 TAAR1 (0.41) TAAR1ADRA2AADRA2CADRA2BADRA1A
SCHEMBL9788289 0.83 ADRA2A (0.40) TAAR1ADRA2AADRA2CADRA2BADRA1A
SCHEMBL9788278 0.82 CFB (0.44) TAAR1ADRA2AADRA2CADRA2BADRA1A
SCHEMBL9788317 0.82 CFB (0.44) TAAR1ADRA2AADRA2CADRA2BADRA1A
SCHEMBL9788345 0.80 CFB (0.55) TAAR1ADRA2AADRA2CADRA2BADRA1A
SCHEMBL9788340 0.79 CFB (0.50) TAAR1ADRA2AADRA2CADRA2BADRA1A
SCHEMBL9788321 0.79 TAAR1 (0.48) TAAR1ADRA2AADRA2CADRA2BADRA1A
SCHEMBL7046036 0.78 TAAR1 (0.57) TAAR1ADRA2AADRA2CADRA2BADRA1A

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