SCHEMBL7762906

SCHEMBL7762906

COC[C@H](N)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.53
MAOB P27338 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LTA4H P09960 3/20 0.50
ALOX5 P09917 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL8333570 1.00 SCN4A (0.53) SCN4AMAOBGAAMAPTMAOA
SCHEMBL7766511 0.84 MAOB (0.56) MAOBGAAMAPTMAOARAB9A
Hydrochloric Acid SCHEMBL7913854 0.83 MAOB (0.56) MAOBGAAMAPTMAOARAB9A
SCHEMBL17602196 0.82 BCHE (0.51) MAOBGAAMAPTMAOARAB9A
SCHEMBL8866173 0.82 LTA4H (0.62) MAOBGAAMAPTMAOARAB9A
SCHEMBL7760611 0.81 MAOB (0.53) MAOBGAAMAPTMAOARAB9A
SCHEMBL322827 0.81 LMNA (0.58) MAOBGAAMAPTMAOARAB9A
SCHEMBL6568552 0.81 LMNA (0.58) MAOBGAAMAPTMAOARAB9A
SCHEMBL9054167 0.81 LTA4H (0.65) MAOBGAAMAPTMAOARAB9A
Hydrochloric Acid SCHEMBL8865569 0.81 LTA4H (0.60) MAOBGAAMAPTMAOARAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856579-A Adduct salts of novel substituted benzylamines and a process for optically resolving them AJINOMOTO CO., INC. (JP) 1999-01-05 US claimed
EP-0776883-A1 Adduct salts of substituted benzylamine and a process for optically resolving them Ajinomoto Co., Inc. (JP) 1997-06-04 EP claimed
EP-0748814-B1 Novel aspartyldipeptideamide derivatives and sweetener AJINOMOTO KK (JP) 2001-06-13 EP disclosed
US-5856579-A Adduct salts of novel substituted benzylamines and a process for optically resolving them AJINOMOTO CO., INC. (JP) 1999-01-05 US disclosed
US-5795612-A Aspartyldipeptideamine derivatives and sweetner AJINOMOTO CO., INC. (JP) 1998-08-18 US disclosed
EP-0776883-A1 Adduct salts of substituted benzylamine and a process for optically resolving them Ajinomoto Co., Inc. (JP) 1997-06-04 EP disclosed
EP-0748814-A1 Novel aspartyldipeptideamide derivatives and sweetener Ajinomoto Co., Ltd. (JP) 1996-12-18 EP disclosed