SCHEMBL3373100

SCHEMBL3373100

CCc1cnc(N2CCC(Oc3ccc(-c4cccc(-n5cnnn5)c4)cc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.52
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3371738 0.92 GPR119 (0.60) GPR119MAPTTP53MEN1KMT2A
SCHEMBL3373467 0.86 GPR119 (0.50) GPR119MAPTTP53SMN1; SMN2
SCHEMBL3374362 0.85 GPR119 (0.52) GPR119MAPTTP53MEN1KMT2A
SCHEMBL3342654 0.79 GPR119 (0.61) GPR119
SCHEMBL3376459 0.75 TP53 (0.48) GPR119MAPTTP53MEN1KMT2A
SCHEMBL903908 0.75 GPR119 (0.52) GPR119MAPTTP53MEN1KMT2A
SCHEMBL3342698 0.75 GPR119 (0.68) GPR119
SCHEMBL3373764 0.74 CHEK2 (0.52) GPR119MAPTTP53MEN1KMT2A
SCHEMBL3372018 0.74 GPR119 (0.48) GPR119MAPTTP53SMN1; SMN2
SCHEMBL3372327 0.74 GPR119 (0.49) GPR119

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