SCHEMBL9788271

SCHEMBL9788271

CCc1cc(O)ccc1NC1=NCCO1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 13/20 0.45
ADRA2A P08913 3/20 0.41
ADRA1A P35348 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CFB P00751 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
CAMK2A Q9UQM7 1/20 0.35

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
SCHEMBL9788325 0.89 ADRA2A (0.40) TNIKADRA2AADRA1AADRA2BADRA2C
SCHEMBL9788339 0.82 ADRA2A (0.36) ADRA2AADRA1AADRA2BADRA2CCFB
SCHEMBL9788340 0.81 CFB (0.50) TNIKADRA2AADRA1AADRA2BADRA2C
SCHEMBL9788289 0.80 ADRA2A (0.40) ADRA2AADRA1AADRA2BADRA2CCFB
SCHEMBL9788300 0.80 CFB (0.40) ADRA2AADRA1AADRA2BADRA2CCFB
SCHEMBL9788276 0.80 CFB (0.46) TNIKADRA2AADRA1AADRA2BADRA2C
SCHEMBL9788287 0.77 CFB (0.40) ADRA2AADRA1AADRA2BADRA2CCFB
SCHEMBL9788343 0.74 TAAR1 (0.44) ADRA2AADRA1AADRA2BADRA2CCFB
SCHEMBL9788281 0.74 ADRA2A (0.40) ADRA2AADRA1AADRA2BADRA2CCFB
SCHEMBL9788294 0.74 ADRA2A (0.40) ADRA2AADRA1AADRA2BADRA2CCFB

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