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Sugi Predict / Compounds / SCHEMBL1006677

SCHEMBL1006677

SCHEMBL1006677

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.44
▸ SCN8A Q9UQD0 11/20 0.41
▸ SCN1A P35498 10/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SCD O00767 1/20 0.41
▸ UTS2R Q9UKP6 2/20 0.40

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
SCHEMBL1005952 0.85 DGAT2 (0.46) KCNH2UTS2R
SCHEMBL12239161 0.85 POLB (0.46) GPR119SCN8ASCN1AKCNH2SCD
SCHEMBL1006626 0.83 GPR119 (0.50) GPR119SCN8ASCN1AKCNH2
SCHEMBL1006689 0.81 GPR119 (0.40) GPR119SCN8ASCN1AKCNH2SCD
SCHEMBL1006614 0.80 GPR119 (0.39) GPR119
SCHEMBL12239172 0.79 SMN1; SMN2 (0.43) GPR119SCN8ASCN1ASCDUTS2R
SCHEMBL1006104 0.79 GPR119 (0.47) GPR119
SCHEMBL12239160 0.78 POLB (0.44) SCN8ASCN1ASCD
SCHEMBL12262498 0.77 SCN8A (0.42) GPR119SCN8ASCN1ASCDUTS2R
SCHEMBL1007710 0.77 UTS2R (0.47) KCNH2UTS2R

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 disclosed
WO-2009126535-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-15 — — WO disclosed