SCHEMBL4293362

SCHEMBL4293362

Cc1ccc(NC(=O)Nc2cc(F)cc(CCCN3CCN(S(=O)(=O)N(C)c4ccccc4C)CC3)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.39
HTR1D P28221 4/20 0.39
HTR1B P28222 4/20 0.39
CYP1A2 P05177 1/20 0.39
DDX3X O00571 3/20 0.38
MAPK10 P53779 3/20 0.37
MAPK8 P45983 2/20 0.36
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
DRD2 P14416 3/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 1/20 0.35
KCNH2 Q12809 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL402096 0.90 CYP1A2 (0.46) HTR1AHTR1DHTR1BCYP1A2DDX3X
SCHEMBL402430 0.85 HTR1A (0.42) HTR1AHTR1DHTR1BCYP1A2DDX3X
SCHEMBL3210124 0.80 HTR1A (0.45) HTR1AHTR1DHTR1BDDX3XMAPK10
SCHEMBL545635 0.80 HTR1A (0.43) HTR1AHTR1DHTR1BCYP1A2DDX3X
SCHEMBL401393 0.80 CYP1A2 (0.48) HTR1AHTR1DHTR1BCYP1A2MAPK10
SCHEMBL401663 0.79 HTR1A (0.42) HTR1AHTR1DHTR1BDDX3XMAPK10
SCHEMBL402570 0.78 HRH2 (0.46) HTR1AHTR1DHTR1BDDX3XHTR7
SCHEMBL401052 0.78 HTR1A (0.40) HTR1AHTR1DHTR1BDDX3XMAPK10
SCHEMBL399090 0.76 HTR1A (0.50) HTR1ACYP1A2DRD2HTR7DRD3
SCHEMBL401053 0.76 HRH2 (0.44) HTR1AHTR1DHTR1BDDX3XDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO claimed