Sugi Predict

Sugi Predict / Compounds / SCHEMBL6056337

SCHEMBL6056337

SCHEMBL6056337

CC(CN)c1ccccc1Oc1ccc(Cl)c(Cl)c1.CNC(C)c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1.CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 20/20 0.62
▸ SLC6A4 P31645 20/20 0.62
▸ KCNH2 Q12809 20/20 0.62

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
SCHEMBL6056531 0.96 HTR2A (0.56) HTR2ASLC6A4KCNH2
SCHEMBL5836792 0.79 HTR2A (1.00) HTR2ASLC6A4KCNH2
SCHEMBL5836789 0.78 HTR2A (0.67) HTR2ASLC6A4KCNH2
SCHEMBL5837924 0.76 HTR2A (0.64) HTR2ASLC6A4KCNH2
SCHEMBL6056327 0.76 SLC6A4 (0.74) HTR2ASLC6A4KCNH2
SCHEMBL5837420 0.75 HTR2A (1.00) HTR2ASLC6A4KCNH2
SCHEMBL5837925 0.73 HTR2A (1.00) HTR2ASLC6A4KCNH2
SCHEMBL5837542 0.72 HTR2A (1.00) HTR2ASLC6A4KCNH2
SCHEMBL5837537 0.71 HTR2A (0.65) HTR2ASLC6A4KCNH2
SCHEMBL5838185 0.71 HTR2A (1.00) HTR2ASLC6A4KCNH2

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