SCHEMBL7701273

SCHEMBL7701273

CN(Cc1ccccc1)CC1CCc2cc(OCc3ccccc3)ccc2C1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.60
GRIN1 Q05586 3/20 0.47
GRIN2B Q13224 3/20 0.47
ACHE P22303 4/20 0.46
MAOB P27338 3/20 0.46
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HRH3 Q9Y5N1 7/20 0.43
MAOA P21397 1/20 0.41
BCHE P06276 2/20 0.41
CYP2D6 P10635 3/20 0.41
KDM1A O60341 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL7703437 1.00 SLC6A9 (0.60) SLC6A9GRIN1GRIN2BACHEMAOB
Hydrochloric Acid SCHEMBL7706014 0.90 SLC6A9 (0.76) SLC6A9GRIN1GRIN2BUSP2MAPT
SCHEMBL7700175 0.89 SLC6A9 (0.75) SLC6A9GRIN1GRIN2BACHEBCHE
SCHEMBL7704292 0.89 SLC6A9 (0.75) SLC6A9GRIN1GRIN2BACHEBCHE
SCHEMBL7702711 0.84 SLC6A9 (0.56) SLC6A9HRH3HRH1
SCHEMBL7703310 0.84 SLC6A9 (0.56) SLC6A9HRH3HRH1
SCHEMBL7700190 0.84 SLC6A9 (0.65) SLC6A9GRIN1GRIN2BUSP2MAPT
SCHEMBL7700452 0.82 SLC6A9 (0.53) SLC6A9HRH3KDM1A
SCHEMBL7700451 0.82 SLC6A9 (0.53) SLC6A9HRH3KDM1A
SCHEMBL7698359 0.80 SLC6A4 (0.55) SLC6A9MAOBMAOAKDM1A

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
EP-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed