SCHEMBL6871815

SCHEMBL6871815

CCCCCCCCCCCCCC(C(C)=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.45
FFAR1 O14842 2/20 0.45
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
CA2 P00918 1/20 0.42
FAAH O00519 1/20 0.42
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
FDPS P14324 3/20 0.41

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
SCHEMBL21016297 0.98 GPR84 (0.42) GPR84FFAR1MAPTLCKPPARD
SCHEMBL18031703 0.91 CA2 (0.40) GPR84FFAR1CA2FDPS
SCHEMBL15132427 0.91 CA2 (0.40) GPR84FFAR1CA2FDPS
SCHEMBL19230435 0.91 CA2 (0.40) GPR84FFAR1CA2FDPS
SCHEMBL5530871 0.83 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL3852448 0.83 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL308689 0.83 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL18221941 0.83 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL351779 0.83 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL3116423 0.83 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983995-B1 Pharmaceutically-active dimethyl-(3-aryl-but-3-enyl)-amine compounds GRUENENTHAL GMBH (DE) 2004-03-31 EP claimed
EP-1069106-B1 Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity GRUENENTHAL GMBH (DE) 2004-01-28 EP claimed
EP-0799819-B1 1-Dimethylaminomethyl 2-phenyl cycloalk-2-ene derivatives with analgesic activity GRUENENTHAL GMBH (DE) 2002-09-11 EP claimed
EP-0780369-B1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents GRUENENTHAL GMBH (DE) 2000-01-19 EP claimed
EP-0753506-B1 6-Dimethylaminomethyl-1-phenyl-cyclo-hexane compounds as pharmaceutical agents GRUENENTHAL GMBH (DE) 1999-08-18 EP claimed
EP-0693475-B1 1-Phenyl-3-dimethylamino-propane derivatives having pharmacological activity GRUENENTHAL GMBH (DE) 1998-02-11 EP claimed