SCHEMBL8976005

SCHEMBL8976005

CC(N)(Cc1ccccc1Cl)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
KCNN4 O15554 1/20 0.44
TAAR1 Q96RJ0 5/20 0.42
IDO1 P14902 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AOC3 Q16853 1/20 0.41
PKM P14618 1/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38

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
Fumaric Acid SCHEMBL8866442 0.88 KCNJ6 (0.40) SLC6A2SLC6A4SLC6A3KCNJ6KCNJ5
Maleic Acid SCHEMBL8866423 0.88 KCNJ6 (0.40) SLC6A2SLC6A4SLC6A3KCNJ6KCNJ5
Clortermine SCHEMBL164137 0.80 PNMT (0.52) PNMTTAAR1IDO1SLC6A2SLC6A4
Clortermine SCHEMBL30295323 0.80 PNMT (0.52) PNMTTAAR1IDO1SLC6A2SLC6A4
Clortermine SCHEMBL266778 0.79 PNMT (0.50) PNMTTAAR1IDO1SLC6A2SLC6A4
Clortermine SCHEMBL30791298 0.79 PNMT (0.50) PNMTTAAR1IDO1SLC6A2SLC6A4
SCHEMBL14018901 0.77 IDO1 (0.48) PNMTTAAR1IDO1SLC6A2SLC6A4
SCHEMBL14040511 0.77 IDO1 (0.48) PNMTTAAR1IDO1SLC6A2SLC6A4
SCHEMBL73408 0.76 IDO1 (0.50) PNMTTAAR1IDO1SLC6A2SLC6A4
SCHEMBL155932 0.75 TAAR1 (0.52) KCNN4TAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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