SCHEMBL9788276

SCHEMBL9788276

CCc1cc(O)cc(C)c1NC1=NCCO1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
ADRA2A P08913 5/20 0.40
ADRA1A P35348 3/20 0.40
TNIK Q9UKE5 1/20 0.32
ADRA2B P18089 4/20 0.32
ADRA2C P18825 4/20 0.32
CYTH2 Q99418 2/20 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
SCHEMBL9788327 0.87 CFB (0.54) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788271 0.80 TNIK (0.45) CFBTAAR1ADRA2AADRA1ATNIK
SCHEMBL9788287 0.76 CFB (0.40) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788343 0.76 TAAR1 (0.44) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788300 0.76 CFB (0.40) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788345 0.76 CFB (0.55) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788308 0.74 CFB (0.53) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788340 0.74 CFB (0.50) CFBTAAR1ADRA2AADRA1ATNIK
SCHEMBL9788290 0.73 TAAR1 (0.50) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788339 0.72 ADRA2A (0.36) CFBTAAR1ADRA2AADRA1AADRA2B

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