SCHEMBL8546183

SCHEMBL8546183

ClCc1ccccc1Oc1ccccc1Oc1ccccc1CCl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.46
SLC6A2 P23975 11/20 0.46
SLC6A3 Q01959 9/20 0.46
CXCL8 P10145 2/20 0.44
KCNH2 Q12809 2/20 0.41
HRH1 P35367 1/20 0.41
RIPK1 Q13546 1/20 0.39
HTR2A P28223 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CHRM1 P11229 1/20 0.39
PPARA Q07869 1/20 0.38

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
SCHEMBL3355905 0.97 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3CXCL8KCNH2
SCHEMBL9516575 0.86 L3MBTL1 (0.41) SLC6A4SLC6A2SLC6A3CXCL8KCNH2
SCHEMBL8551189 0.86 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNH2HRH1
SCHEMBL3139704 0.85 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3CXCL8RIPK1
SCHEMBL3157328 0.85 CXCL8 (0.59) SLC6A4SLC6A2SLC6A3CXCL8KCNH2
SCHEMBL3142433 0.84 HRH1 (0.60) SLC6A4SLC6A2SLC6A3HRH1RIPK1
SCHEMBL3155173 0.82 HTR1B (0.44) SLC6A4HRH1ALDH1A1
SCHEMBL8549354 0.81 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNH2HRH1
SCHEMBL3150537 0.79 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3KCNH2HRH1
SCHEMBL11342414 0.79 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3KCNH2HRH1

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