SCHEMBL9299684

SCHEMBL9299684

CCNC(=O)c1ccc(-c2ccc(C(=O)N(CC)c3ccc(OC)c(N4CCN(C)CC4)c3)cc2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.55
SLC6A4 P31645 4/20 0.54
TMPRSS2 O15393 1/20 0.54
HTR1B P28222 4/20 0.49
HTR1A P08908 4/20 0.49
HTR2A P28223 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HTR2C P28335 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL6817268 0.80 HTR1D (0.61) HTR1DSLC6A4TMPRSS2HTR1BHTR1A
SCHEMBL9298882 0.77 HTR1D (0.77) HTR1DSLC6A4TMPRSS2HTR1BHTR1A
SCHEMBL9299905 0.75 HTR1D (0.69) HTR1DSLC6A4TMPRSS2HTR1BHTR1A
SCHEMBL9301655 0.75 HTR1D (0.55) HTR1DSLC6A4TMPRSS2HTR1BHTR1A
SCHEMBL7887298 0.75 HTR1D (0.73) HTR1DSLC6A4TMPRSS2HTR1BHTR1A
SCHEMBL9300281 0.75 HTR1D (0.71) HTR1DSLC6A4TMPRSS2HTR1BHTR1A
SCHEMBL9300777 0.74 HTR1D (0.79) HTR1DSLC6A4TMPRSS2HTR1BHTR1A
SCHEMBL9300006 0.74 HTR1D (0.81) HTR1DSLC6A4TMPRSS2HTR1BHTR1A
SCHEMBL9298881 0.74 HTR1D (0.80) HTR1DSLC6A4TMPRSS2HTR1BHTR1A
SCHEMBL9299616 0.74 HTR1D (0.77) HTR1DSLC6A4TMPRSS2HTR1BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US claimed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP claimed
US-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed