SCHEMBL5506932

SCHEMBL5506932

COc1cccc(Oc2cc(Cl)ccc2C[AsH]C)c1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.44
SLC6A2 P23975 9/20 0.44
KCNH2 Q12809 8/20 0.44
SLC6A3 Q01959 7/20 0.44
HTR2A P28223 7/20 0.40
TTR P02766 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL5506940 0.82 SLC6A4 (0.45) SLC6A4SLC6A2KCNH2SLC6A3HTR2A
SCHEMBL5501246 0.81 TAAR1 (0.50) SLC6A4SLC6A2KCNH2SLC6A3HTR2A
SCHEMBL5501242 0.81 SLC6A4 (0.67) SLC6A4SLC6A2KCNH2SLC6A3HTR2A
SCHEMBL5498154 0.67 SLC6A4 (0.50) SLC6A4SLC6A2KCNH2SLC6A3HTR2A
SCHEMBL5498157 0.67 TAAR1 (0.52) HTR2A
SCHEMBL5501642 0.66 TAAR1 (0.51) HTR2AMAPT
SCHEMBL146841 0.66 CA1 (0.61) KDM4EMAPT
SCHEMBL11313806 0.65 MAPT (0.59) SLC6A4SLC6A2KCNH2SLC6A3HTR2A
Hydrochloric Acid SCHEMBL5457539 0.65 TAAR1 (0.50) HTR2A
SCHEMBL5501635 0.65 SLC6A4 (0.58) 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