SCHEMBL9788345

SCHEMBL9788345

Cc1cc(C)c(NC2=NCCO2)c(C)c1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFB P00751 2/20 0.55
TAAR1 Q96RJ0 1/20 0.49
ADRA2A P08913 6/20 0.41
ADRA1A P35348 5/20 0.41
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 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
OPRK1 P41145 1/20 0.33
HIF1A Q16665 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL9788308 0.86 CFB (0.53) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788327 0.84 CFB (0.54) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788317 0.83 CFB (0.44) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788311 0.80 TAAR1 (0.55) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788332 0.80 CFB (0.50) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788291 0.80 TAAR1 (0.45) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7048730 0.79 TAAR1 (0.60) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788278 0.77 CFB (0.44) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7047294 0.77 CFB (0.50) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788276 0.76 CFB (0.46) CFBTAAR1ADRA2AADRA1AADRA2B

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