SCHEMBL3372018

SCHEMBL3372018

CCc1cnc(N2CCC(Oc3ccc(-c4ccc(-n5cnnn5)cc4F)c4ccccc34)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.48
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3374362 0.84 GPR119 (0.52) GPR119SMN1; SMN2KCNH2TP53MAPT
SCHEMBL13422985 0.84 GPR119 (0.42) GPR119
SCHEMBL3372327 0.80 GPR119 (0.49) GPR119KCNH2
SCHEMBL3370717 0.79 GPR119 (0.43) GPR119
SCHEMBL3374913 0.78 GPR119 (0.48) GPR119KCNH2ALDH1A1HSP90AA1MAPT
SCHEMBL14158932 0.78 GPR119 (0.52) GPR119KCNH2ALDH1A1HSP90AA1MAPT
SCHEMBL3377912 0.77 GPR119 (0.47) GPR119SMN1; SMN2
SCHEMBL3371738 0.76 GPR119 (0.60) GPR119SMN1; SMN2TP53MAPT
SCHEMBL3376459 0.75 TP53 (0.48) GPR119SMN1; SMN2KCNH2TP53MAPT
SCHEMBL3373100 0.74 GPR119 (0.52) GPR119SMN1; SMN2TP53MAPT

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