SCHEMBL9788281

SCHEMBL9788281

CCc1c(NC2=NCCO2)ccc(O)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.40
ADRA2B P18089 6/20 0.40
ADRA2C P18825 6/20 0.40
ADRA1A P35348 4/20 0.40
TAAR1 Q96RJ0 1/20 0.39
CFB P00751 1/20 0.38
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
ADRA1D P25100 1/20 0.30
ADRA1B P35368 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
SCHEMBL9788294 0.89 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788328 0.84 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788279 0.84 TAAR1 (0.41) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788292 0.82 TAAR1 (0.42) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788343 0.78 TAAR1 (0.44) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788290 0.78 TAAR1 (0.50) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788289 0.78 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788288 0.78 CFB (0.38) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7048853 0.78 TAAR1 (0.52) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788321 0.77 TAAR1 (0.48) 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