SCHEMBL9788294

SCHEMBL9788294

CCc1c(O)ccc(NC2=NCCO2)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

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
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 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
SCHEMBL9788281 0.89 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788328 0.84 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788292 0.82 TAAR1 (0.42) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788290 0.81 TAAR1 (0.50) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788279 0.81 TAAR1 (0.41) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788289 0.81 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788288 0.78 CFB (0.38) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788291 0.77 TAAR1 (0.45) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788321 0.77 TAAR1 (0.48) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9788341 0.76 CFB (0.38) 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