SCHEMBL30388656

SCHEMBL30388656

CC(C)(C)OC(=O)N1CCC(Oc2cccc(OCc3cccc(N)c3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
GPR119 Q8TDV5 6/20 0.48
YAP1 P46937 3/20 0.47
F10 P00742 1/20 0.46
CHRM3 P20309 1/20 0.45
FAAH O00519 1/20 0.44
PRMT5 O14744 2/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL17560083 1.00 KDM1A (0.49) KDM1AGPR119YAP1F10CHRM3
SCHEMBL17554496 0.93 GPR119 (0.55) KDM1AGPR119YAP1FAAHPRMT5
SCHEMBL2195099 0.91 YAP1 (0.55) GPR119YAP1CHRM3PRMT5
SCHEMBL29796027 0.87 KDM1A (0.58) KDM1AGPR119PDE4APDE4BPDE4C
SCHEMBL520668 0.87 KDM1A (0.58) KDM1AGPR119PDE4APDE4BPDE4C
SCHEMBL19327832 0.86 MAOB (0.52) GPR119YAP1F10FAAHPDE4A
SCHEMBL30388453 0.86 MAOB (0.52) GPR119YAP1F10FAAHPDE4A
SCHEMBL19327864 0.85 MAOB (0.49) F10CHRM3FAAH
SCHEMBL2556786 0.85 GPR119 (0.49) KDM1AGPR119PRMT5
SCHEMBL17554365 0.85 KDM1A (0.48) KDM1AGPR119YAP1CHRM3PDE4A

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
EP-3189059-B1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2023-02-22 EP disclosed