SCHEMBL9788343

SCHEMBL9788343

CCc1ccc(O)c(C)c1NC1=NCCO1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
CFB P00751 1/20 0.43
ADRA2A P08913 5/20 0.38
ADRA1A P35348 3/20 0.38
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33
MAOB P27338 1/20 0.32
TYR P14679 1/20 0.31

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
SCHEMBL9788311 0.83 TAAR1 (0.55) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788289 0.78 ADRA2A (0.40) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788281 0.78 ADRA2A (0.40) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788290 0.78 TAAR1 (0.50) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788276 0.76 CFB (0.46) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788294 0.76 ADRA2A (0.40) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788328 0.76 ADRA2A (0.45) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788332 0.74 CFB (0.50) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL9788271 0.74 TNIK (0.45) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL7041570 0.74 TAAR1 (0.42) TAAR1CFBADRA2AADRA1AADRA2B

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