SCHEMBL7921337

SCHEMBL7921337

Bc1ccc2c(c1)CC1(COC(N)=N1)CO2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
ADRA2A P08913 1/20 0.39
BACE1 P56817 14/20 0.36
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7911081 0.82 BACE1 (0.51) TAAR1ADRA2ABACE1
SCHEMBL7916189 0.80 TAAR1 (0.52) TAAR1ADRA2ABACE1
SCHEMBL7918070 0.79 BACE1 (0.40) TAAR1ADRA2ABACE1KCNH2
SCHEMBL7932277 0.79 BACE1 (0.47) TAAR1ADRA2ABACE1KCNH2
SCHEMBL7926329 0.77 BACE1 (0.56) BACE1KCNH2
SCHEMBL7920326 0.76 BACE1 (0.39) TAAR1ADRA2ABACE1KCNH2
SCHEMBL7918269 0.76 HTR7 (0.45) TAAR1ADRA2ABACE1
SCHEMBL7928306 0.75 KCNH2 (0.39) TAAR1ADRA2ABACE1KCNH2
SCHEMBL7924659 0.75 TDP2 (0.38) TAAR1ADRA2ABACE1KCNH2
SCHEMBL7920091 0.74 CYP1A2 (0.49) ADRA2ABACE1KCNH2

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 2 patents. 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
WO-2010042473-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed