SCHEMBL9788302

SCHEMBL9788302

CCCc1c(O)cccc1NC1=NCCO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
ADRA2A P08913 12/20 0.37
ADRA2B P18089 10/20 0.37
ADRA2C P18825 10/20 0.37
ADRA1A P35348 4/20 0.37
CFB P00751 1/20 0.37
RET P07949 1/20 0.34
GAA P10253 1/20 0.33
DRD2 P14416 1/20 0.32
GCGR P47871 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
SCHEMBL9788292 0.89 TAAR1 (0.42) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9788321 0.79 TAAR1 (0.48) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7048853 0.77 TAAR1 (0.52) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7043901 0.77 TAAR1 (0.43) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9788294 0.75 ADRA2A (0.40) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9788281 0.75 ADRA2A (0.40) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9788325 0.74 ADRA2A (0.40) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9788279 0.72 TAAR1 (0.41) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7045608 0.71 TAAR1 (0.46) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL10959530 0.70 IDO1 (0.46) RETGAA

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