SCHEMBL5506940

SCHEMBL5506940

COc1cccc(Oc2cc(Cl)ccc2CC[AsH2])c1C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.45
SLC6A2 P23975 7/20 0.45
KCNH2 Q12809 6/20 0.45
SLC6A3 Q01959 5/20 0.45
HTR2A P28223 5/20 0.41
PTGES2 Q9H7Z7 6/20 0.39
TTR P02766 1/20 0.36

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
SCHEMBL5501246 0.88 TAAR1 (0.50) SLC6A4SLC6A2KCNH2SLC6A3HTR2A
SCHEMBL5506932 0.82 SLC6A4 (0.44) SLC6A4SLC6A2KCNH2SLC6A3HTR2A
SCHEMBL5501242 0.82 SLC6A4 (0.67) SLC6A4SLC6A2KCNH2SLC6A3HTR2A
SCHEMBL5501939 0.71 TAAR1 (0.50) HTR2A
SCHEMBL5498157 0.70 TAAR1 (0.52) HTR2A
SCHEMBL5501642 0.69 TAAR1 (0.51) HTR2A
SCHEMBL9921408 0.69 HMGCR (0.47) SLC6A4SLC6A2KCNH2SLC6A3PTGES2
Hydrochloric Acid SCHEMBL5457539 0.69 TAAR1 (0.50) HTR2A
SCHEMBL5502216 0.68 SLC6A4 (0.42) SLC6A4SLC6A2KCNH2SLC6A3HTR2A
SCHEMBL5498154 0.68 SLC6A4 (0.50) SLC6A4SLC6A2KCNH2SLC6A3HTR2A

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-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP claimed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO claimed