SCHEMBL5167342

SCHEMBL5167342

CN1CCN(c2c(N)ccc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.53
HRH4 Q9H3N8 6/20 0.50
ADRA2C P18825 1/20 0.50
NCF1 P14598 1/20 0.47
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
THPO P40225 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL6001737 0.81 HRH4 (0.51) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL5168060 0.80 KDM4E (0.48) NCF1KDM4EALDH1A1
SCHEMBL8693928 0.80 HRH4 (0.50) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL8082652 0.78 HRH4 (0.48) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL5167771 0.74 SIRT6 (0.52) HRH4ALDH1A1HTR6
SCHEMBL3623865 0.72 ADRA2C (0.62) HTR3AHRH4ADRA2CNCF1HTR3E
SCHEMBL29509033 0.72 ADRA2C (0.62) HTR3AHRH4ADRA2CNCF1HTR3E
SCHEMBL22858428 0.72 HTR3A (0.52) HTR3AHRH4ADRA2CNCF1KDM4E
SCHEMBL6002177 0.72 HTR1A (0.62) HTR3AHRH4ADRA2CNCF1HTR3E
SCHEMBL5170379 0.71 GAA (0.47) HTR3AHRH4KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007054836-A2 1, 2-SUBSTITUTED NAPHTHALENE DERIVATIVES WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-05-18 WO disclosed
WO-2007054836-A2 1, 2-SUBSTITUTED NAPHTHALENE DERIVATIVES WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-05-18 WO disclosed
EP-1777219-A1 1,2-Substituted naphthalene derivatives with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2007-04-25 EP disclosed
EP-0701819-B1 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER (US) 2000-08-16 EP disclosed