SCHEMBL6870938

SCHEMBL6870938

CN(C)C[C@H]1CCC=C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.36
SLC6A2 P23975 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SLC6A3 Q01959 2/20 0.36
MCHR1 Q99705 5/20 0.35
KIF11 P52732 4/20 0.34
PYCR1 P32322 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL6861086 1.00 SLC6A4 (0.36) SLC6A4SLC6A2LMNAGAASLC6A3
SCHEMBL6861092 1.00 SLC6A4 (0.36) SLC6A4SLC6A2LMNAGAASLC6A3
SCHEMBL6869161 0.92 SLC6A4 (0.37) SLC6A4SLC6A2LMNAGAASLC6A3
SCHEMBL4863055 0.80 MAPT (0.34) LMNAMETAP1
Hydrochloric Acid SCHEMBL4868225 0.79 MAPT (0.33) LMNAMETAP1
SCHEMBL6297680 0.78 METAP1 (0.36) SLC6A4SLC6A2LMNAGAAMCHR1
SCHEMBL5208920 0.72 SMN1; SMN2 (0.33) GAA
SCHEMBL8687835 0.71 KIF11 (0.39) LMNAKIF11
SCHEMBL8686586 0.71 CHRM2 (0.37) SLC6A4SLC6A2KIF11
SCHEMBL8691669 0.71 KIF11 (0.39) LMNAKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069106-B1 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity GRUENENTHAL GMBH (DE) 2004-01-28 EP disclosed
EP-0799819-B1 1-Dimethylaminomethyl 2-phenyl cycloalk-2-ene derivatives with analgesic activity GRUENENTHAL GMBH (DE) 2002-09-11 EP disclosed
EP-1069106-A2 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity Grünenthal GmbH (DE) 2001-01-17 EP disclosed
EP-0983994-A2 Pharmaceutically-active dimethyl-(3-aryl-but-3-enyl)-amine compounds Grünenthal GmbH (DE) 2000-03-08 EP disclosed
EP-0799819-A1 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity Grünenthal GmbH (DE) 1997-10-08 EP disclosed