SCHEMBL9788328

SCHEMBL9788328

Cc1c(O)ccc(NC2=NCCO2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.45
ADRA2C P18825 11/20 0.45
ADRA1A P35348 10/20 0.45
ADRA2B P18089 9/20 0.45
TAAR1 Q96RJ0 1/20 0.43
CFB P00751 1/20 0.42
ADRA1D P25100 4/20 0.36
ADRA1B P35368 4/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
GMNN O75496 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 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
SCHEMBL9788321 0.86 TAAR1 (0.48) ADRA2AADRA2CADRA1AADRA2BTAAR1
SCHEMBL9788294 0.84 ADRA2A (0.40) ADRA2AADRA2CADRA1AADRA2BTAAR1
SCHEMBL9788281 0.84 ADRA2A (0.40) ADRA2AADRA2CADRA1AADRA2BTAAR1
SCHEMBL7044957 0.84 TAAR1 (0.48) ADRA2AADRA2CADRA1AADRA2BTAAR1
SCHEMBL9788291 0.83 TAAR1 (0.45) ADRA2AADRA2CADRA1AADRA2BTAAR1
SCHEMBL9788311 0.80 TAAR1 (0.55) ADRA2AADRA2CADRA1AADRA2BTAAR1
SCHEMBL9788289 0.79 ADRA2A (0.40) ADRA2AADRA2CADRA1AADRA2BTAAR1
SCHEMBL9788263 0.77 CFB (0.41) ADRA2AADRA2CADRA1AADRA2BTAAR1
SCHEMBL9788340 0.77 CFB (0.50) ADRA2AADRA2CADRA1AADRA2BTAAR1
SCHEMBL9788317 0.77 CFB (0.44) ADRA2AADRA2CADRA1AADRA2BTAAR1

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