SCHEMBL9301655

SCHEMBL9301655

CNC(=O)c1ccc(-c2ccc(C(=O)N(C)c3ccc(OC)c(N4CCN(C)CC4)c3)cc2C)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.55
HTR1B P28222 10/20 0.55
HTR2A P28223 4/20 0.55
SLC6A4 P31645 2/20 0.53
TMPRSS2 O15393 1/20 0.53
HTR1A P08908 8/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
RAB9A P51151 2/20 0.47
HTR2C P28335 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL6817232 0.84 HTR1D (0.67) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL6808869 0.79 HTR1D (0.50) HTR1DHTR1BHTR2AHTR1ARAB9A
SCHEMBL6812001 0.79 HTR1D (0.53) HTR1DHTR1BHTR2AHTR1AMAPT
SCHEMBL6817253 0.79 HTR1A (0.53) HTR1DHTR1BHTR2ASLC6A4HTR1A
SCHEMBL6812249 0.77 MCHR1 (0.61) HTR1DHTR1BHTR2AHTR1AMEN1
SCHEMBL6812630 0.77 HTR1D (0.48) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL9298882 0.76 HTR1D (0.77) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL9298881 0.76 HTR1D (0.80) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL9301688 0.76 HTR1D (0.74) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL7883944 0.76 POLB (0.55) HTR1DHTR1BHTR2AHTR1AMEN1

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
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