SCHEMBL1006689

SCHEMBL1006689

CCc1cnc(N2CCC(Oc3ccc(CN4CCN([S+](C)[O-])CC4C)cc3Cl)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.40
SCD O00767 3/20 0.37
SCN1A P35498 5/20 0.37
SCN8A Q9UQD0 5/20 0.37
CSNK2A1 P68400 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL12239182 0.84 ALDH1A1 (0.51) GPR119SCDSCN1ASCN8ACSNK2A1
SCHEMBL1005456 0.83 GPR119 (0.45) GPR119SCN1ASCN8AKCNH2
SCHEMBL12239186 0.81 SCD (0.42) GPR119SCDSCN1ASCN8ACSNK2A1
SCHEMBL1006677 0.81 GPR119 (0.44) GPR119SCDSCN1ASCN8AKCNH2
SCHEMBL1007123 0.80 GPR119 (0.42) GPR119
SCHEMBL1005428 0.79 SCD (0.47) GPR119SCDCSNK2A1KCNH2
SCHEMBL12239188 0.79 GPR119 (0.42) GPR119SCDSCN1ASCN8ACSNK2A1
SCHEMBL12239172 0.79 SMN1; SMN2 (0.43) GPR119SCDSCN1ASCN8ACSNK2A1
SCHEMBL1003971 0.78 SCD (0.46) GPR119SCDCSNK2A1KCNH2
SCHEMBL12262498 0.77 SCN8A (0.42) GPR119SCDSCN1ASCN8ACSNK2A1

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