SCHEMBL9979518

SCHEMBL9979518

O=C1c2cccc(Sc3ccc(O)c4c3CCC4)c2CN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 5/20 0.38
CBLB Q13191 10/20 0.33
CHRNB2 P17787 1/20 0.33
HTR1B P28222 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA4 P43681 1/20 0.33
GRM2 Q14416 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GRM1 Q13255 1/20 0.32

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
SCHEMBL9979629 0.87 PPARD (0.41) UGCGCBLBCHRNB2HTR1BSLC6A4
SCHEMBL9979551 0.82 UGCG (0.45) UGCGCBLBCHRNB2HTR1BSLC6A4
SCHEMBL9979553 0.72 UGCG (0.43) UGCGCBLBPTGS1PTGS2
SCHEMBL9979557 0.72 UGCG (0.45) UGCGCBLBCHRNB2HTR1BSLC6A4
SCHEMBL9979580 0.71 PKM (0.41) UGCGGRM1
SCHEMBL9979506 0.70 PPARD (0.62)
SCHEMBL9979554 0.69 UGCG (0.43) UGCGCBLBPTGS1PTGS2
SCHEMBL9979709 0.69 PPARD (0.50) UGCG
SCHEMBL9979627 0.68 UGCG (0.45) UGCGCBLBCHRNB2HTR1BSLC6A4
SCHEMBL9979608 0.68 PPARD (0.50) UGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed