SCHEMBL3376775

SCHEMBL3376775

CCc1cnc(N2CCC(Oc3ccc(CNc4ccc(-n5cncn5)nc4C)cc3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.46
HRH3 Q9Y5N1 2/20 0.35
ACACB O00763 2/20 0.35
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 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
SCHEMBL3374582 0.86 GPR119 (0.45) GPR119ACACBKCNH2SCN5ASCN9A
SCHEMBL3374664 0.85 GPR119 (0.48) GPR119ACACB
SCHEMBL3346737 0.80 GPR119 (0.49) GPR119
SCHEMBL3373531 0.79 GPR119 (0.45) GPR119
SCHEMBL3804747 0.72 GPR119 (0.35) GPR119
SCHEMBL3348812 0.72 GPR119 (0.48) GPR119ACACB
SCHEMBL15253315 0.72 GPR119 (0.58) GPR119
SCHEMBL3807071 0.71 GPR119 (0.34) GPR119
SCHEMBL3346467 0.71 GPR119 (0.46) GPR119
SCHEMBL13423111 0.71 GPR119 (0.57) GPR119KCNH2

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
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed