SCHEMBL3673071

SCHEMBL3673071

COc1cccc(C(CNC2=NCCO2)c2cncc(C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.47
ADRA1A P35348 2/20 0.47
TAAR1 Q96RJ0 1/20 0.38
AOC3 Q16853 3/20 0.36
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
CASR P41180 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNA5 P22460 1/20 0.33
THRB P10828 1/20 0.33
ROCK2 O75116 2/20 0.33
PRKG1 Q13976 2/20 0.33

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
SCHEMBL3674930 0.88 KCNA5 (0.45) ADRA2AADRA1ATAAR1AOC3TDP1
SCHEMBL3668500 0.87 CFB (0.35) ADRA2AADRA1ATAAR1AOC3
SCHEMBL3670065 0.80 TAAR1 (0.38) ADRA2AADRA1ATAAR1
SCHEMBL3669311 0.79 CFB (0.36) ADRA2AADRA1ATAAR1
SCHEMBL1157345 0.79 ADRA2A (0.46) ADRA2AADRA1ATAAR1AOC3MTNR1A
SCHEMBL3665641 0.79 ADRA2A (0.33) ADRA2AADRA1ATAAR1
SCHEMBL3415420 0.73 ADRA2A (0.41) ADRA2AADRA1ATAAR1AOC3THRB
SCHEMBL3666286 0.72 SLC6A3 (0.43) ADRA2AKCNA5
SCHEMBL3671172 0.71 CFB (0.36) ADRA2AADRA1ATAAR1AOC3
SCHEMBL3804488 0.71 TAAR1 (0.40) ADRA2AADRA1ATAAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242753-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-10-27 EP disclosed
EP-2240468-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-10-20 EP disclosed
WO-2009091760-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed
WO-2009091759-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed