SCHEMBL16102006

SCHEMBL16102006

CC(C)(CN1CCC(F)(CNC(=O)c2cc(Cl)c(N)c3cccnc23)CC1)OC(=O)/C=C/C(=O)OC(C)(C)CN1CCC(F)(CNC(=O)c2cc(Cl)c(N)c3cccnc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
KCNH2 Q12809 1/20 0.38
HTR1A P08908 5/20 0.34
ADRA1A P35348 4/20 0.34
DRD2 P14416 2/20 0.34
SLC6A9 P48067 7/20 0.32
FGFR3 P22607 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL18094608 0.91 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16102963 0.88 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18101485 0.88 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL16097867 0.87 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL16102007 0.87 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL16097773 0.87 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18094593 0.86 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16102974 0.83 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16102331 0.82 KCNH2 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18094604 0.81 DRD3 (0.38) 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-2976337-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS Suven Life Sciences Limited (IN) 2016-01-27 EP claimed
WO-2014147636-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2014-09-25 WO claimed