SCHEMBL5305709

SCHEMBL5305709

CC(N)(Cc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.54
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
PKM P14618 1/20 0.45
PNMT P11086 2/20 0.43
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL8867384 0.90 KIF11 (0.48) KIF11SLC6A2TAAR1PKMPNMT
Maleic Acid SCHEMBL8866882 0.89 KIF11 (0.48) KIF11SLC6A2TAAR1PKM
Fumaric Acid SCHEMBL8866901 0.89 KIF11 (0.48) KIF11SLC6A2TAAR1PKM
SCHEMBL855070 0.82 TAAR1 (0.64) KIF11SLC6A2TAAR1
SCHEMBL8867124 0.81 SLC6A2 (0.60) KIF11SLC6A2TAAR1HTR2ASLC6A4
SCHEMBL5305664 0.81 SLC6A2 (0.55) KIF11SLC6A2TAAR1HTR2ASLC6A4
SCHEMBL29037325 0.80 TAAR1 (0.52) KIF11SLC6A2TAAR1
SCHEMBL8866189 0.80 KIF11 (0.52) KIF11SLC6A2TAAR1HTR2ASLC6A4
Maleic Acid SCHEMBL8866109 0.80 HCAR2 (0.51) KIF11TAAR1PKM
Fumaric Acid SCHEMBL8866125 0.80 HCAR2 (0.51) KIF11TAAR1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 US claimed
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP claimed
WO-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO claimed
EP-0356035-A2 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1990-02-28 EP claimed
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
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-0648489-A1 Arylalkylamides having neuroprotective properties FISONS CORPORATION (US) 1995-04-19 EP disclosed
EP-0648745-A1 Arylalkylamine having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 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