SCHEMBL3374362

SCHEMBL3374362

CCc1cnc(N2CCC(Oc3ccc(-c4ccc(-n5cnnn5)cc4F)cc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.52
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3376459 0.91 TP53 (0.48) GPR119MAPTTP53SMN1; SMN2KCNH2
SCHEMBL3371738 0.89 GPR119 (0.60) GPR119MAPTTP53SMN1; SMN2MEN1
SCHEMBL3372327 0.89 GPR119 (0.49) GPR119KCNH2
SCHEMBL13422781 0.88 SMN1; SMN2 (0.45) GPR119MAPTTP53SMN1; SMN2KCNH2
SCHEMBL3374913 0.87 GPR119 (0.48) GPR119MAPTKCNH2
SCHEMBL14158932 0.87 GPR119 (0.52) GPR119MAPTKCNH2
SCHEMBL3373467 0.85 GPR119 (0.50) GPR119MAPTTP53SMN1; SMN2
SCHEMBL3373100 0.85 GPR119 (0.52) GPR119MAPTTP53SMN1; SMN2MEN1
SCHEMBL3372018 0.84 GPR119 (0.48) GPR119MAPTTP53SMN1; SMN2KCNH2
SCHEMBL3374964 0.82 SMN1; SMN2 (0.44) GPR119MAPTTP53SMN1; SMN2KCNH2

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