SCHEMBL7801070

SCHEMBL7801070

COc1ccc(NC(=O)c2ccc(B(O)O)c(C)c2)cc1N1CCN(C)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.78
HTR1B P28222 10/20 0.78
HTR2A P28223 4/20 0.78
SLC6A4 P31645 2/20 0.65
TMPRSS2 O15393 1/20 0.65
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
HTR1A P08908 7/20 0.58
HTR2C P28335 3/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
LCK P06239 1/20 0.58
MAPK14 Q16539 1/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL7803371 0.88 HTR1D (1.00) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL4688960 0.87 HTR1D (0.68) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL9299637 0.85 HTR1D (0.62) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL8985970 0.83 HTR1D (0.92) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL9300006 0.83 HTR1D (0.81) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL8705195 0.83 HTR1D (0.70) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL7805150 0.83 HTR1D (0.77) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL8705402 0.83 HTR1D (0.70) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL8704883 0.83 HTR1D (0.70) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL29611473 0.82 HTR1D (0.77) HTR1DHTR1BHTR2ASLC6A4TMPRSS2

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
EP-0533268-B1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LTD (GB) 2001-08-16 EP disclosed
US-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed