SCHEMBL3376953

SCHEMBL3376953

CC(C)(C)OC(=O)N1CCC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)c3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.47
PDE4D Q08499 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
KDM1A O60341 1/20 0.46
GPR119 Q8TDV5 8/20 0.45
USP30 Q70CQ3 1/20 0.43
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39

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
SCHEMBL1776249 0.81 KDM1A (0.55) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL31752901 0.79 GPR119 (0.50) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL13717948 0.78 GPR119 (0.58) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL31464611 0.78 GPR119 (0.59) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL12801187 0.78 USP30 (0.49) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL532111 0.78 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL14862081 0.78 USP30 (0.51) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL19284642 0.78 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL830217 0.78 USP30 (0.45) KDM1AGPR119USP30KDM4EPKM
SCHEMBL2547209 0.77 GPR119 (0.56) KDM1AGPR119USP30

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 1 patent. 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