SCHEMBL7923311

SCHEMBL7923311

CCN(C(=O)OC)c1ccc2c(c1)CC1(CCC2)COC(N)=N1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
ADRA2A P08913 1/20 0.34
BACE1 P56817 6/20 0.31
BACE2 Q9Y5Z0 3/20 0.31
HTT P42858 1/20 0.31
LTC4S Q16873 1/20 0.31
KCNH2 Q12809 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
SCHEMBL7913281 0.94 TAAR1 (0.40) TAAR1ADRA2ABACE1BACE2HTT
SCHEMBL7918102 0.90 HTT (0.34) TAAR1ADRA2ABACE1BACE2HTT
SCHEMBL7919743 0.84 BACE1 (0.34) TAAR1ADRA2ABACE1BACE2HTT
SCHEMBL7923354 0.84 TAAR1 (0.39) TAAR1ADRA2ABACE1
SCHEMBL7920016 0.83 TAAR1 (0.40) TAAR1ADRA2ABACE1
SCHEMBL7913168 0.80 TAAR1 (0.42) TAAR1ADRA2A
SCHEMBL7916197 0.79 TAAR1 (0.40) TAAR1ADRA2ABACE1
SCHEMBL7918694 0.79 TAAR1 (0.35) TAAR1ADRA2ABACE1
SCHEMBL7918099 0.78 TAAR1 (0.31) TAAR1ADRA2A
SCHEMBL7921890 0.77 BACE1 (0.33) TAAR1ADRA2ABACE1BACE2KCNH2

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
WO-2010042475-A1 SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed