SCHEMBL4604207

SCHEMBL4604207

COc1ccc2c(C(=O)N[C@@H]3CN4CCC3CC4)snc2c1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.51
HTR3E A5X5Y0 2/20 0.51
HTR3B O95264 2/20 0.51
HTR3D Q70Z44 2/20 0.51
HTR3C Q8WXA8 2/20 0.51
CHRNA7 P36544 5/20 0.48
HTR5A P47898 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL492009 0.82 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL492869 0.82 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL4604601 0.78 CHRNA7 (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1963796 0.77 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5985184 0.73 CHRNA7 (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL261359 0.73 CHRNA7 (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL260649 0.73 CHRNA7 (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL261361 0.73 CHRNA7 (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2229554 0.73 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2229547 0.73 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C

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-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP claimed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO claimed