SCHEMBL4680809

SCHEMBL4680809

CSc1ccc(Oc2cc[c]c(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CYP1A1 P04798 5/20 0.35
CYP1A2 P05177 5/20 0.35
CYP1B1 Q16678 5/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
MMP1 P03956 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL21630339 0.80 MAPT (0.47) SLC6A4SLC6A2SLC6A3MMP14
SCHEMBL21630309 0.77 MAOA (0.44) CYP1A2MMP1
SCHEMBL21630321 0.77 LTA4H (0.34)
SCHEMBL27581484 0.77 HSPB1 (0.38)
SCHEMBL25268910 0.77 LTA4H (0.48)
SCHEMBL921773 0.76 CYP1A1 (0.42) SLC6A4SLC6A2SLC6A3HRH3CYP1A1
SCHEMBL2774995 0.75 CYP1A1 (0.52) SLC6A4SLC6A2SLC6A3HRH3CYP1A1
SCHEMBL22167328 0.74 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3CYP1A1
SCHEMBL1636899 0.74
SCHEMBL21630284 0.73 EPHX2 (0.36) SLC6A4SLC6A2SLC6A3KCNH2MMP1

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
EP-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP disclosed
EP-1638943-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-03-29 EP disclosed
WO-2004106307-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-12-09 WO disclosed