SCHEMBL6153214

SCHEMBL6153214

CSc1ccc(Oc2ccc(C(=O)O)cc2CN(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.66
SLC6A2 P23975 9/20 0.64
SLC6A3 Q01959 5/20 0.64
HTR2A P28223 1/20 0.61
KCNH2 Q12809 1/20 0.61
HRH3 Q9Y5N1 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL6151207 0.89 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6153170 0.88 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6151975 0.86 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6947234 0.85 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6152065 0.84 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6152119 0.81 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6151395 0.79 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6151333 0.79 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6946108 0.79 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL5697698 0.79 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3HTR2AKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268396-B1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-07-20 EP disclosed
EP-1268396-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2003-01-02 EP disclosed
US-6448293-B1 TREATMENT OR PREVENTION OF A DISORDER IN WHICH THE REGULATION OF MONOAMINE TRANSPORTER FUNCTION IS IMPLICATED, SUCH AS PREMATURE EJACULATION. PFIZER INC. 2002-09-10 US disclosed
WO-2001072687-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2001-10-04 WO disclosed