SCHEMBL29862803

SCHEMBL29862803

CC(C)(C)OC(=O)N1CCC(Oc2ccnc3c(F)cccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.52
GPR119 Q8TDV5 6/20 0.50
HCRTR2 O43614 5/20 0.49
HCRTR1 O43613 4/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
KDM1A O60341 1/20 0.48
IDO1 P14902 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL23360272 1.00 AR (0.52) ARGPR119HCRTR2HCRTR1CYP3A4
SCHEMBL29862967 0.89 GPR119 (0.49) GPR119KDM1AIDO1PDE4APDE4B
SCHEMBL23359883 0.89 GPR119 (0.49) GPR119KDM1AIDO1PDE4APDE4B
SCHEMBL29862660 0.88 PDE4B (0.53) GPR119KDM1AIDO1PDE4APDE4B
SCHEMBL23360400 0.88 PDE4B (0.53) GPR119KDM1AIDO1PDE4APDE4B
SCHEMBL23360295 0.85 AR (0.54) ARGPR119KDM1A
SCHEMBL29862653 0.85 AR (0.54) ARGPR119KDM1A
SCHEMBL2774377 0.84 GPR119 (0.52) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL23707520 0.83 IDO1 (0.52) ARGPR119KDM1AIDO1PDE4A
SCHEMBL23360460 0.83 GPR119 (0.51) GPR119

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
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed