SCHEMBL1005491

SCHEMBL1005491

CCc1cnc(N2CCC(Oc3ccc(CC4CCN([S+]([O-])CCCO)CC4)cc3Cl)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.38
SCD O00767 2/20 0.36
KIT P10721 1/20 0.34
HDAC3 O15379 1/20 0.33
PDE5A O76074 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL1006391 0.82 GPR119 (0.43) GPR119KCNH2
SCHEMBL12239176 0.82 CSNK2A1 (0.45) GPR119SCD
SCHEMBL1006510 0.81 GPR119 (0.41) GPR119SCDHDAC3PDE5AHDAC1
SCHEMBL1003971 0.80 SCD (0.46) GPR119SCDKCNH2
SCHEMBL1006506 0.79 GPR119 (0.47) GPR119KCNH2
SCHEMBL1005451 0.77 PDE4D (0.45) GPR119
SCHEMBL1006762 0.77 GPR119 (0.45) GPR119
SCHEMBL1005428 0.77 SCD (0.47) GPR119SCDKCNH2
SCHEMBL2548234 0.77 GPR119 (0.40) GPR119SCDHDAC3PDE5AHDAC1
SCHEMBL12239188 0.73 GPR119 (0.42) GPR119SCD

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