SCHEMBL7930026

SCHEMBL7930026

CNC1=NC2(CCc3c(cccc3-c3cnccn3)C2)CO1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
ADRA2A P08913 1/20 0.34
ALDH1A1 P00352 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL14134575 0.86 TAAR1 (0.36) TAAR1ADRA2AALDH1A1ADRA1DADRA1A
SCHEMBL7924481 0.84 TAAR1 (0.51) TAAR1ADRA2AALDH1A1ADRA1DADRA1A
SCHEMBL7927717 0.82 TAAR1 (0.32) TAAR1ADRA2A
SCHEMBL7919354 0.82 TAAR1 (0.36) TAAR1ADRA2A
SCHEMBL12203506 0.79 GRM5 (0.32) ALDH1A1
SCHEMBL14134558 0.78 TAAR1 (0.43) TAAR1ADRA2AADRA1DADRA1AADRA1B
SCHEMBL14134568 0.78 TAAR1 (0.43) TAAR1ADRA2AADRA1DADRA1AADRA1B
SCHEMBL12204054 0.77 TAAR1 (0.40) TAAR1ADRA2AALDH1A1
SCHEMBL7917869 0.76 ADRA2A (0.60) TAAR1ADRA2AADRA1DADRA1AADRA1B
SCHEMBL7917896 0.76 ADRA2A (0.60) TAAR1ADRA2AADRA1DADRA1AADRA1B

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