SCHEMBL1005952

SCHEMBL1005952

C[S+]([O-])N1CCN(Cc2ccc(OC3CCN(c4ncc(C(=O)N5CCOCC5)cn4)CC3)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.46
UTS2R Q9UKP6 18/20 0.45
KCNH2 Q12809 1/20 0.42

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
SCHEMBL12239166 0.88 DGAT2 (0.50) DGAT2UTS2R
SCHEMBL1005953 0.87 DGAT2 (0.46) DGAT2UTS2RKCNH2
SCHEMBL1006677 0.85 GPR119 (0.44) UTS2RKCNH2
SCHEMBL1006614 0.79 GPR119 (0.39)
SCHEMBL12239164 0.76 HRH1 (0.44) UTS2RKCNH2
SCHEMBL12239158 0.76 UTS2R (0.45) UTS2R
SCHEMBL1003933 0.76 UTS2R (0.49) UTS2RKCNH2
SCHEMBL12239163 0.75 OPRK1 (0.43) UTS2R
SCHEMBL1006069 0.75 UTS2R (0.43) UTS2RKCNH2
SCHEMBL12239165 0.75 DGAT2 (0.48) DGAT2UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271619-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-01-12 EP claimed
WO-2009126535-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-15 WO claimed