SCHEMBL9788289

SCHEMBL9788289

CCc1ccc(NC2=NCCO2)c(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.40
ADRA2B P18089 7/20 0.40
ADRA2C P18825 7/20 0.40
ADRA1A P35348 5/20 0.40
TAAR1 Q96RJ0 1/20 0.39
CFB P00751 1/20 0.38
ADRA1D P25100 2/20 0.33
ADRA1B P35368 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 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
SCHEMBL9788291 0.83 TAAR1 (0.45) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788294 0.81 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7045608 0.81 TAAR1 (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788271 0.80 TNIK (0.45) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788328 0.79 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788281 0.78 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788343 0.78 TAAR1 (0.44) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788279 0.78 TAAR1 (0.41) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788287 0.76 CFB (0.40) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788300 0.76 CFB (0.40) ADRA2AADRA2BADRA2CADRA1ATAAR1

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