SCHEMBL1126919

SCHEMBL1126919

Cc1cccc(N2CCN(c3ccc(C(=O)C(N)=O)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
KCNH2 Q12809 2/20 0.50
CHRNA7 P36544 4/20 0.45
CHRNA10 Q9GZZ6 4/20 0.45
CHRNA9 Q9UGM1 4/20 0.45
HTR1A P08908 3/20 0.45
HTR2A P28223 3/20 0.45
DRD3 P35462 2/20 0.45
SCN9A Q15858 2/20 0.43
TRPA1 O75762 1/20 0.42
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
TGM3 Q08188 1/20 0.41
HSD11B1 P28845 1/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL1126418 0.83 MAPT (0.44) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
SCHEMBL1126465 0.79 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1126920 0.73 F13A1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22495215 0.73 RAB9A (0.53) CHRNA7CHRNA10CHRNA9NPC1RAB9A
SCHEMBL1126692 0.73 SIRT6 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20339488 0.73 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31381324 0.72 TDP1 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6525544 0.71 KCNH2 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL240113 0.71 KDM4E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2127461 0.70 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed