SCHEMBL9047719

SCHEMBL9047719

Cc1cc(C(=O)Nc2cc3c(c(N4CCN(C)CC4)c2)OCC3)ccc1-c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.52
SLC6A4 P31645 5/20 0.51
TMPRSS2 O15393 1/20 0.51
HTR1B P28222 5/20 0.47
HTR2A P28223 4/20 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
HTR1A P08908 2/20 0.47
RAB9A P51151 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
HTR2C P28335 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
SCHEMBL9059222 0.90 HTR1D (0.50) HTR1DSLC6A4TMPRSS2HTR1BHTR2A
SCHEMBL9050530 0.83 HTR1D (0.68) HTR1DSLC6A4TMPRSS2HTR1BHTR2A
SCHEMBL9050506 0.83 HTR1D (0.73) HTR1DSLC6A4TMPRSS2HTR1BHTR2A
SCHEMBL9333416 0.81 HTR1D (0.67) HTR1DSLC6A4TMPRSS2HTR1BHTR2A
SCHEMBL7724517 0.79 HTR1D (0.77) HTR1DSLC6A4TMPRSS2HTR1BHTR2A
SCHEMBL29611473 0.79 HTR1D (0.77) HTR1DSLC6A4TMPRSS2HTR1BHTR2A
SCHEMBL9054954 0.79 HTR1D (0.57) HTR1DSLC6A4TMPRSS2HTR1BHTR2A
SCHEMBL8985966 0.76 HTR1D (0.71) HTR1DSLC6A4TMPRSS2HTR1BHTR2A
SCHEMBL9054646 0.76 HTR1D (0.63) HTR1DSLC6A4HTR1BHTR2AMEN1
SCHEMBL29431890 0.75 HTR1D (0.68) HTR1DSLC6A4TMPRSS2HTR1BHTR2A

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-0724580-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP disclosed
WO-1995011243-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed