SCHEMBL3370707

SCHEMBL3370707

CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(-n4cnnn4)c(F)c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.50
CHEK2 O96017 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43

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 0.86 GPR119 (0.58) GPR119CHEK2SMN1; SMN2
SCHEMBL3373764 0.85 CHEK2 (0.52) GPR119CHEK2SMN1; SMN2PTPN2PTPN1
SCHEMBL3372317 0.84 GPR119 (0.50) GPR119CHEK2SMN1; SMN2
SCHEMBL14242785 0.79 GPR119 (0.44) GPR119SMN1; SMN2
SCHEMBL3373458 0.77 GPR119 (0.56) GPR119CHEK2SMN1; SMN2
SCHEMBL18318896 0.77 GPR119 (0.54) GPR119CHEK2PTPN2PTPN1PTPN6
SCHEMBL3073527 0.75 GPR119 (0.65) GPR119CHEK2
SCHEMBL3373467 0.74 GPR119 (0.50) GPR119SMN1; SMN2
SCHEMBL1118096 0.74 GPR119 (0.78) GPR119SMN1; SMN2
SCHEMBL2774468 0.74 GPR119 (0.71) GPR119CHEK2

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