SCHEMBL6056360

SCHEMBL6056360

CNCCc1cc(F)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.75
HTR2A P28223 16/20 0.75
KCNH2 Q12809 14/20 0.75
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 2/20 0.46

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
SCHEMBL6056329 0.95 SLC6A4 (0.85) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6056311 0.86 HTR2A (0.76) SLC6A4HTR2AKCNH2
SCHEMBL5837192 0.86 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6056314 0.82 SLC6A4 (0.72) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6449547 0.81 SLC6A4 (0.63) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5836432 0.74 HTR2A (1.00) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6056327 0.74 SLC6A4 (0.74) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL13359826 0.73 TAAR1 (0.60) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5838185 0.72 HTR2A (1.00) SLC6A4HTR2AKCNH2
SCHEMBL18646614 0.72 HSPB1 (0.58) SLC6A4HTR2AKCNH2

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-1675582-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS Warner-Lambert Company LLC (US) 2006-07-05 EP claimed
WO-2005025563-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO claimed