SCHEMBL3373764

SCHEMBL3373764

CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(-n4cnnn4)c3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.52
GPR119 Q8TDV5 7/20 0.49
DPP4 P27487 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
DPP8 Q6V1X1 1/20 0.47
MAPT P10636 2/20 0.46
PTGS2 P35354 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3372121 0.91 GPR119 (0.58) CHEK2GPR119MAPTSMN1; SMN2MEN1
SCHEMBL3372317 0.85 GPR119 (0.50) CHEK2GPR119MAPTTP53SMN1; SMN2
SCHEMBL3370707 0.85 GPR119 (0.50) CHEK2GPR119SMN1; SMN2PTPN2PTPN1
SCHEMBL3373458 0.78 GPR119 (0.56) CHEK2GPR119MAPTTP53SMN1; SMN2
SCHEMBL24721341 0.78 GPR119 (0.53) CHEK2GPR119MAPTPTPN2PTPN1
SCHEMBL3343217 0.77 GPR119 (0.69) CHEK2GPR119
SCHEMBL18319425 0.77 GPR119 (0.54) CHEK2GPR119
SCHEMBL18318690 0.76 PIK3CD (0.59) CHEK2GPR119PTPN2PTPN1PTPN6
SCHEMBL904065 0.76 GPR119 (0.52) CHEK2GPR119MAPTSMN1; SMN2MEN1
SCHEMBL18318062 0.76 USP30 (0.54) CHEK2GPR119PTPN2PTPN1PTPN6

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