SCHEMBL7751850

SCHEMBL7751850

COc1cc(N)c(Cl)cc1C(=O)NN

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
HTR4 Q13639 11/20 0.64
HTR3A P46098 5/20 0.64
HTR3E A5X5Y0 3/20 0.64
HTR3B O95264 3/20 0.64
HTR3D Q70Z44 3/20 0.64
HTR3C Q8WXA8 3/20 0.64
SLC22A1 O15245 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
MPO P05164 1/20 0.64
CYP1A2 P05177 1/20 0.64
ADRA2A P08913 1/20 0.64
CYP2D6 P10635 1/20 0.64
DRD2 P14416 1/20 0.64
ADRA2C P18825 1/20 0.64
DRD4 P21917 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
DRD3 P35462 1/20 0.64

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
SCHEMBL6581077 0.88 CTSD (0.59) GAAHTR4HTR3AHTR3EHTR3B
SCHEMBL14817685 0.87 GAA (0.71) GAAHTR4HTR3AHTR3EHTR3B
SCHEMBL3963618 0.87 CTSD (0.53) GAAHTR4HTR3AHTR3EHTR3B
SCHEMBL3102868 0.86 HTR4 (0.70) GAAHTR4HTR3AHTR3EHTR3B
SCHEMBL7280230 0.85 GAA (0.73) GAAHTR4HTR3AHTR3EHTR3B
SCHEMBL8247499 0.84 GAA (0.68) GAAHTR4HTR3AHTR3EHTR3B
SCHEMBL9072065 0.84 GAA (0.50) GAAHTR4HTR3AHTR3EHTR3B
SCHEMBL22022238 0.84 HTR4 (0.71) GAAHTR4HTR3AHTR3EHTR3B
SCHEMBL15650650 0.84 HTR4 (0.71) GAAHTR4HTR3AHTR3EHTR3B
SCHEMBL17069856 0.84 HTR4 (0.64) GAAHTR4HTR3AHTR3EHTR3B

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
US-6255319-B1 ANTISEROTONIN AGENT SANOFI-SYNTHELABO (FR) 2001-07-03 US disclosed
US-6248757-B1 ANTISEROTONINE AGENTS SANOFI-SYNTHELABO (FR) 2001-06-19 US disclosed
CN-1260794-A 5-aryl-3-(8-azabicyclo (3.2.2) oct-3-yl)-1,3,4-oxadiazol-2(3H)-one derivatives as -5HT4 receptor ligands SANOFI SYNTHELABO (FR) 2000-07-19 CN disclosed