SCHEMBL7440867

SCHEMBL7440867

N#Cc1ccc(C(O)CCN2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.52
CCR2 P41597 1/20 0.50
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
HTR7 P34969 2/20 0.47
HTR1A P08908 1/20 0.47
SLC6A4 P31645 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL7432491 0.80 HRH3 (0.47) HRH3HTR1AGRIN2DGRIN3BADRA1D
SCHEMBL4796352 0.80 HTR1A (0.61) HTR1ASLC6A4KCNH2ADRA1A
SCHEMBL7983037 0.79 GRIN2B (0.61) HTR1ASLC6A4GRIN2DGRIN3BADRA1D
SCHEMBL28753859 0.79 HTR1A (0.61) HTR1ASLC6A4
SCHEMBL7547846 0.79 HTR1A (0.61) HTR1ASLC6A4
SCHEMBL7357631 0.78 HTR1A (0.62) HTR1ASLC6A4
SCHEMBL8105223 0.78 HTR1A (0.62) HTR1ASLC6A4KCNH2ADRA1A
SCHEMBL4894490 0.77 HRH3 (0.51) HRH3HTR1AGRIN2DGRIN3BADRA1D
SCHEMBL8113980 0.75 HTR1A (0.61) HTR1ASLC6A4GRIN2DGRIN3BADRA1D
SCHEMBL7984081 0.75 HTR1A (0.61) HTR1ASLC6A4GRIN2DGRIN3BADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576766-A1 Propanolamine derivatives, their preparation and use NOVO NORDISK A/S (DK) 1994-01-05 EP disclosed