SCHEMBL7927717

SCHEMBL7927717

CNC1=NC2(CCc3c(cccc3-c3cncc(OC)n3)C2)CO1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.32
ADRA2A P08913 1/20 0.32
BACE1 P56817 1/20 0.32
LRRK2 Q5S007 1/20 0.32
BRAF P15056 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
SCHEMBL7917921 0.87 TAAR1 (0.47) TAAR1ADRA2ABACE1LRRK2
SCHEMBL7918039 0.87 TAAR1 (0.47) TAAR1ADRA2ABACE1LRRK2
SCHEMBL7930026 0.82 TAAR1 (0.34) TAAR1ADRA2A
SCHEMBL12203467 0.80 TAAR1 (0.40) TAAR1ADRA2ABACE1LRRK2
SCHEMBL7919354 0.79 TAAR1 (0.36) TAAR1ADRA2ABACE1
SCHEMBL7927172 0.79 TAAR1 (0.54) TAAR1ADRA2ABACE1LRRK2
SCHEMBL12203505 0.75 TAAR1 (0.36) TAAR1ADRA2A
SCHEMBL12203502 0.75 TAAR1 (0.36) TAAR1ADRA2A
SCHEMBL12203955 0.73 TAAR1 (0.49) TAAR1ADRA2ABACE1
SCHEMBL12203961 0.73 TAAR1 (0.49) TAAR1ADRA2ABACE1

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