SCHEMBL5336644

SCHEMBL5336644

CCCCN(C(=O)Nc1cc2cccnc2[nH]1)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.48
HTR6 P50406 3/20 0.48
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
NAMPT P43490 1/20 0.41
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5335245 0.88 HTR2A (0.42) HTR7HTR6HTR2AHTR2C
SCHEMBL5474267 0.87 HTR7 (0.57) HTR7HTR6HTR2AHTR2C
SCHEMBL5462054 0.74 DRD2 (0.51) HTR7HTR6HTR2AHTR2C
SCHEMBL5461891 0.71 HTR7 (0.39) HTR7HTR6HTR2AHTR2C
SCHEMBL5468007 0.71 HTR7 (0.51) HTR7HTR6HTR2AHTR2CMEN1
SCHEMBL5473527 0.70 HTR2A (0.44) HTR7HTR6HTR2AHTR2C
SCHEMBL5468109 0.70 HTR2A (0.43) HTR7HTR6HTR2AHTR2C
SCHEMBL5336144 0.66 HTR7 (0.55) HTR7HTR6HTR2AHTR2CMEN1
SCHEMBL5481421 0.66 HTR7 (0.47) HTR7HTR6HTR2AHTR2CNAMPT
SCHEMBL4824605 0.66 HTR1A (0.61) HTR7HTR6HTR2AKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP claimed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 WO claimed
EP-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP disclosed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 WO disclosed