Sugi Predict

Sugi Predict / Compounds / SCHEMBL3377912

SCHEMBL3377912

SCHEMBL3377912

CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(-n4cnnn4)cc3F)c3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 15/20 0.47
▸ PDE4D Q08499 3/20 0.45
▸ PDE4B Q07343 3/20 0.45
▸ PDE4A P27815 2/20 0.45
▸ PDE4C Q08493 2/20 0.45
▸ SMN1; SMN2 Q16637 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
SCHEMBL3372317 0.84 GPR119 (0.50) GPR119SMN1; SMN2
SCHEMBL3373458 0.79 GPR119 (0.56) GPR119PDE4DSMN1; SMN2
SCHEMBL3373756 0.79 GPR119 (0.51) GPR119
SCHEMBL13422383 0.77 GPR119 (0.53) GPR119
SCHEMBL3372018 0.77 GPR119 (0.48) GPR119SMN1; SMN2
SCHEMBL3372121 0.75 GPR119 (0.58) GPR119SMN1; SMN2
SCHEMBL3373764 0.74 CHEK2 (0.52) GPR119SMN1; SMN2
SCHEMBL10325161 0.73 GPR119 (0.60) GPR119
SCHEMBL14242773 0.72 GPR119 (0.47) GPR119SMN1; SMN2
SCHEMBL3373094 0.72 SMN1; SMN2 (0.49) GPR119SMN1; SMN2

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