SCHEMBL3261990

SCHEMBL3261990

Cc1nc(S(=O)(=O)O)cn1C.Cn1cc(S(=O)(=O)N(Cc2ccccc2)c2cccc(N3CCCC3=O)c2)cn1.O=C1NCCN1c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 2/20 0.39
HTR6 P50406 1/20 0.39
TP53 P04637 1/20 0.38
CNR2 P34972 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GFER P55789 2/20 0.32
AVPR2 P30518 1/20 0.32
OXTR P30559 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
SCHEMBL1971605 0.92 CNR2 (0.38) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL3275899 0.84 HTR2C (0.49) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL1965541 0.76 KMT2A (0.52) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL3275051 0.71 HTR2C (0.45) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL303519 0.71 HTR2C (0.45) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL309786 0.71 CNR2 (0.38) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL303078 0.71 CNR2 (0.55) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL302217 0.70 HTR2C (0.47) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL303627 0.67 HTR2C (0.39) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL3275347 0.67 HTR2C (0.54) HTR2CHTR1AHTR2AHTR7DRD3

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
WO-2010030835-A2 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR WYETH LLC (US) 2010-03-18 WO disclosed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed