SCHEMBL16097776

SCHEMBL16097776

CC(CF)(CC1(CNC(=O)c2cc(Cl)c(N)c3cccnc23)CCNCC1)OC(=O)/C=C/C(=O)OC(C)(CF)CC1(CNC(=O)c2cc(Cl)c(N)c3cccnc23)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
FGFR3 P22607 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL16102965 0.88 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL16097868 0.87 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16102334 0.82 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16097832 0.78 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16103357 0.77 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16102006 0.76 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18094615 0.75 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16102974 0.71 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18094605 0.70 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16103633 0.70 HTR3E (0.46) 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 disclosed
WO-2014147636-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2014-09-25 WO disclosed