SCHEMBL8866033

SCHEMBL8866033

CC(N)(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
MAOA P21397 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SLC6A2 P23975 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PARP10 Q53GL7 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL8865792 0.98 MAOB (0.57) MAOBGAAMAPTMAOARAB9A
Hydrochloric Acid SCHEMBL8866587 0.97 MAOB (0.57) MAOBGAAMAPTMAOARAB9A
SCHEMBL8865724 0.95 MAOB (0.57) MAOBGAAMAPTMAOARAB9A
Fumaric Acid SCHEMBL8866281 0.89 ALDH1A1 (0.54) MAOBGAAMAPTMAOARAB9A
Maleic Acid SCHEMBL9053854 0.89 ALDH1A1 (0.54) MAOBGAAMAPTMAOARAB9A
Fumaric Acid SCHEMBL8976482 0.88 ALDH1A1 (0.53) MAOBGAAMAPTMAOARAB9A
Fumaric Acid SCHEMBL8976470 0.88 ALDH1A1 (0.53) MAOBGAAMAPTMAOARAB9A
Fumaric Acid SCHEMBL8866266 0.85 ALDH1A1 (0.53) MAOBGAAMAPTMAOARAB9A
Maleic Acid SCHEMBL8866242 0.85 ALDH1A1 (0.53) MAOBGAAMAPTMAOARAB9A
SCHEMBL7899077 0.85 MAOB (0.59) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605916-A Arylalkyl-amines having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1997-02-25 US disclosed
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 US disclosed
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP disclosed
US-5430044-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (GB) 1995-07-04 US disclosed
EP-0648745-A1 Arylalkylamine having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1995-04-19 EP disclosed
EP-0648489-A1 Arylalkylamides having neuroprotective properties FISONS CORPORATION (US) 1995-04-19 EP disclosed
US-5331007-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (US) 1994-07-19 US disclosed
WO-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO disclosed
EP-0356035-A2 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1990-02-28 EP disclosed