SCHEMBL7435355

SCHEMBL7435355

CC(=O)Nc1ccc(C(CCN2CCCCC2)Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
SLC6A4 P31645 2/20 0.57
HTR1A P08908 10/20 0.52
EPHX2 P34913 1/20 0.47
KCNH2 Q12809 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL7432010 0.89 HTR1A (0.52) HRH3SLC6A4HTR1AEPHX2HTR2A
SCHEMBL7430403 0.82 SLC6A4 (0.57) HRH3SLC6A4HTR1AKCNH2
Oxalic Acid SCHEMBL4739539 0.82 HTR1A (0.66) HRH3SLC6A4HTR1A
SCHEMBL7434240 0.82 SLC6A4 (0.61) HRH3SLC6A4HTR1AKCNH2
Oxalic Acid SCHEMBL7437107 0.81 SLC6A4 (0.56) HRH3SLC6A4HTR1AKCNH2
Oxalic Acid SCHEMBL4739725 0.81 HTR1A (0.67) HRH3SLC6A4HTR1A
SCHEMBL7435052 0.79 HRH3 (0.62) HRH3SLC6A4HTR1A
Oxalic Acid SCHEMBL4784368 0.77 HTR1A (0.61) HRH3SLC6A4HTR1A
SCHEMBL7435335 0.75 HTR1A (0.68) HRH3SLC6A4HTR1A
SCHEMBL4921786 0.75 HRH3 (0.76) HRH3SLC6A4

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