SCHEMBL8549500

SCHEMBL8549500

N#Cc1ccc(Oc2cccc(Oc3ccc(C#N)cc3C(F)(F)F)c2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.54
AR P10275 9/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
EPAS1 Q99814 2/20 0.48
VEGFA P15692 1/20 0.47
TRPV4 Q9HBA0 1/20 0.44
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.44
CNR1 P21554 1/20 0.44
GPR183 P32249 1/20 0.44
CNR2 P34972 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL15832067 0.83 AR (0.54) SCN9AAREPAS1VEGFA
SCHEMBL922922 0.83 AR (0.50) AREPAS1VEGFAMEN1CNR1
SCHEMBL23409847 0.83 MRGPRX4 (0.47) SCN9AARMRGPRX4TRPV4
SCHEMBL29788295 0.83 MRGPRX4 (0.47) SCN9AARMRGPRX4TRPV4
SCHEMBL805917 0.82 SCN9A (0.52) SCN9AARMRGPRX4TRPV4
SCHEMBL14662039 0.81 AR (0.54) SCN9AARMRGPRX4EPAS1VEGFA
SCHEMBL14663781 0.81 EPAS1 (0.49) SCN9AARMRGPRX4EPAS1VEGFA
SCHEMBL8544623 0.79 AR (0.54) AREPAS1VEGFACYP19A1
SCHEMBL523319 0.77 ESRRB (0.51) ARMRGPRX4TRPV4
SCHEMBL22731288 0.77 TRPV4 (0.49) SCN9AARMRGPRX4TRPV4

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