SCHEMBL4705249

SCHEMBL4705249

Nc1ccc(OCCC2CCCN2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
PRKCZ Q05513 1/20 0.39
HPGD P15428 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL12491869 0.84 CHRNB4 (0.39) CHRNB4CHRNA3PRKCZHPGDMKNK1
SCHEMBL5239690 0.84 SSTR2 (0.41) SLC6A2CHRNB4CHRNA3PRKCZHPGD
SCHEMBL7006966 0.83 CHRNB4 (0.55) CHRNB4CHRNA3PRKCZ
SCHEMBL2172629 0.83 CHRNB4 (0.51) CHRNB4CHRNA3PRKCZHPGD
SCHEMBL5261782 0.81 PRKCZ (0.37) CHRNB4CHRNA3PRKCZMKNK1
SCHEMBL11456123 0.81 SLC6A2 (0.53) SLC6A2CHRNB4CHRNA3
SCHEMBL6645965 0.80 CHRNB4 (0.44) CHRNB4CHRNA3PRKCZMKNK1
SCHEMBL6628961 0.80 CHRNB4 (0.51) CHRNB4CHRNA3
SCHEMBL6073607 0.80 CHRNB4 (0.47) CHRNB4CHRNA3HPGD
SCHEMBL4969157 0.79 PRKCZ (0.36) CHRNB4CHRNA3PRKCZMKNK1

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
EP-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
EP-1987006-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
WO-2007093366-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed