SCHEMBL3374582

SCHEMBL3374582

CCc1cnc(N2CCC(Oc3ccc(C(=O)Nc4ccc(-n5cncn5)nc4C)cc3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.45
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.40
SCN9A Q15858 3/20 0.40
KCNH2 Q12809 2/20 0.40
SCN5A Q14524 2/20 0.40
GRM7 Q14831 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
ACACB O00763 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3376775 0.86 GPR119 (0.46) GPR119SCN9AKCNH2SCN5AACACB
SCHEMBL3374664 0.82 GPR119 (0.48) GPR119ACACB
SCHEMBL3346772 0.82 GPR119 (0.47) GPR119KCNH2ACACB
SCHEMBL3373277 0.80 GPR119 (0.48) GPR119KDM4EPOLBGRM7
SCHEMBL3343321 0.73 GPR119 (0.55) GPR119KCNH2
SCHEMBL3341603 0.73 GPR119 (0.47) GPR119KCNH2
SCHEMBL3343984 0.73 ACACB (0.52) GPR119POLBACACBMAPT
SCHEMBL3342687 0.73 GPR119 (0.52) GPR119KCNH2ACACB
SCHEMBL3344924 0.73 GPR119 (0.45) GPR119KCNH2
SCHEMBL3341593 0.72 GPR119 (0.51) GPR119KCNH2ACACB

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