SCHEMBL9636734

SCHEMBL9636734

[CH2]C(C)CC1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
ADRA1A P35348 2/20 0.45
PRCP P42785 2/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 1/20 0.45
PDPK1 O15530 1/20 0.44
DRD2 P14416 2/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 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
SCHEMBL17295913 0.85 PRCP (0.56) HTR6MAOAMAOBADRA2BADRA2C
SCHEMBL29462285 0.82 HTR6 (0.53) HTR6MAOAMAOBADRA2BADRA2C
SCHEMBL21194619 0.82 HTR6 (0.53) HTR6MAOAMAOBADRA2BADRA2C
SCHEMBL18709273 0.82 HTR6 (0.49) HTR6MAOAMAOBADRA2BADRA2C
SCHEMBL19677006 0.82 HTR6 (0.49) HTR6MAOAMAOBADRA2BADRA2C
SCHEMBL7678032 0.79 HTR6 (0.46) HTR6MAOAMAOBADRA2BADRA2C
SCHEMBL7676508 0.78 HTR6 (0.45) HTR6MAOAMAOBADRA2BADRA2C
SCHEMBL9115029 0.77 HTR6 (0.54) HTR6MAOAMAOBADRA2BADRA2C
SCHEMBL1567192 0.77 HTR6 (0.54) HTR6MAOAMAOBADRA2BADRA2C
SCHEMBL13963392 0.76 PDPK1 (0.47) HTR6MAOAMAOBADRA2BADRA2C

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-0338946-B1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1992-07-01 EP claimed
US-4935517-A STABILITY, INTENSITY UNIVERSITE CLAUDE BERNARD (FR) 1990-06-19 US claimed
EP-0338946-A1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1989-10-25 EP claimed
EP-0338946-B1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1992-07-01 EP disclosed
US-4935517-A STABILITY, INTENSITY UNIVERSITE CLAUDE BERNARD (FR) 1990-06-19 US disclosed
EP-0338946-A1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1989-10-25 EP disclosed