SCHEMBL2656264

SCHEMBL2656264

Nc1ccc(Cl)c(Cl)c1C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR7 P34969 2/20 0.38
HTR5A P47898 2/20 0.38
HRH1 P35367 1/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 5/20 0.33
HTR2B P41595 4/20 0.33
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
TP53 P04637 1/20 0.31
CEL P19835 1/20 0.31

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
SCHEMBL3692132 0.78 TDO2 (0.38) TP53
SCHEMBL247757 0.78 TDO2 (0.38) TP53
SCHEMBL4482096 0.78 TDO2 (0.38) TP53
SCHEMBL3793155 0.76 TSHR (0.43) HTR2CHTR1AHTR1DHTR7HTR5A
SCHEMBL9017624 0.75 LRRK2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL3791245 0.74 TSHR (0.41) HTR2CHTR1AHTR1DHTR7HTR5A
SCHEMBL3789871 0.72 TSHR (0.43) HTR2CHTR1AHTR1DHTR7HTR5A
Nitrogen SCHEMBL11050859 0.72 ALDH1A1 (0.40) HTR2CHTR1AHTR1DHTR7HTR5A
SCHEMBL27500344 0.72 KDM4E (0.41) TSHRCYP3A4TP53
SCHEMBL4478730 0.70 PTGS1 (0.33) CYP3A4

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-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO disclosed