SCHEMBL1989680

SCHEMBL1989680

Cn1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(N3CCNC3=O)c2)n1.O=C1NCCN1c1cccc(NCc2ccc(Cl)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.37
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 0.37
DRD3 P35462 2/20 0.37
HTR6 P50406 1/20 0.37
CNR2 P34972 2/20 0.36
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
BACE1 P56817 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 1/20 0.32
CACNA1H O95180 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL303519 0.88 HTR2C (0.45) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL3260086 0.86 TSHR (0.39) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL309786 0.85 CNR2 (0.38) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL1976194 0.83 CNR2 (0.39) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL3261430 0.82 HTR2C (0.40) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL303078 0.78 CNR2 (0.55) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL1966538 0.77 LMNA (0.42) HTR6MEN1KMT2ALMNABACE1
SCHEMBL315878 0.76 NTRK1 (0.33) CNR2ALDH1A1LMNABACE1L3MBTL1
SCHEMBL3275051 0.75 HTR2C (0.45) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL3260082 0.74 LMNA (0.50) MEN1KMT2AALDH1A1LMNAPOLB

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-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 EP disclosed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed