SCHEMBL6983701

SCHEMBL6983701

COc1ccc(C(O)CCN)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.61
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRM4 Q14833 1/20 0.46
HTR1A P08908 2/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL9298171 1.00 AOC3 (0.61) AOC3GAAALDH1A1MAPTTAAR1
Hydrochloric Acid SCHEMBL6983699 0.98 AOC3 (0.59) AOC3GAAALDH1A1MAPTTAAR1
SCHEMBL336019 0.84 AOC3 (0.65) AOC3GAAALDH1A1MAPTTAAR1
SCHEMBL9054504 0.84 AOC3 (0.65) AOC3GAAALDH1A1MAPTTAAR1
SCHEMBL7152554 0.84 AOC3 (0.65) AOC3GAAALDH1A1MAPTTAAR1
SCHEMBL4450372 0.82 GAA (0.58) AOC3GAAALDH1A1MAPTMEN1
SCHEMBL9245675 0.82 GAA (0.58) AOC3GAAALDH1A1MAPTMEN1
SCHEMBL5488204 0.82 AOC3 (0.58) AOC3GAAALDH1A1MAPTHTR1A
SCHEMBL19407135 0.81 GAA (0.61) AOC3GAAALDH1A1MAPTMEN1
SCHEMBL14354458 0.81 GAA (0.61) AOC3GAAALDH1A1MAPTMEN1

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
EP-1286975-A1 BICLYCLIC CYCLOHEXYLAMINES AND THEIR USE AS NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-03-05 EP disclosed
WO-2001092239-A1 BICICLIC CYCLOHEXYLAMINES AND THEIR USE AS NMDA RECEPTOR ANTOGONISTS WARNER-LAMBERT COMPANY (US) 2001-12-06 WO disclosed