SCHEMBL8551189

SCHEMBL8551189

ClCc1ccccc1Oc1ccc(Oc2ccccc2CCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.53
SLC6A2 P23975 9/20 0.53
SLC6A3 Q01959 8/20 0.53
HTR2A P28223 7/20 0.53
HRH1 P35367 1/20 0.52
RIPK1 Q13546 1/20 0.50
PPARA Q07869 1/20 0.50
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 3/20 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
SCHEMBL3142433 0.93 HRH1 (0.60) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11702925 0.92 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL3150537 0.92 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11342414 0.92 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL3144659 0.90 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL3154520 0.90 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL3355905 0.88 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL3146359 0.87 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR2ARIPK1
SCHEMBL8546183 0.86 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL8549354 0.85 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed