SCHEMBL8099892

SCHEMBL8099892

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)C(O)c3ccccc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.54
SRD5A1 P18405 1/20 0.54
CHEK2 O96017 1/20 0.49
USP30 Q70CQ3 2/20 0.49
PDE4D Q08499 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44

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
SCHEMBL8099888 0.96 GPR119 (0.54) GPR119SRD5A1CHEK2USP30PDE4D
SCHEMBL8840797 0.87 GPR119 (0.48) GPR119SRD5A1CHEK2USP30PDE4D
SCHEMBL18240934 0.85 KDM4E (0.52) GPR119CHEK2KDM4EPKM
SCHEMBL5268593 0.84 GPR119 (0.65) GPR119CHEK2USP30KDM4EPKM
SCHEMBL8840796 0.83 GPR119 (0.48) GPR119CHEK2USP30PDE4DPDE4A
SCHEMBL1649132 0.83 GPR119 (0.64) GPR119SRD5A1CHEK2USP30PDE4D
Hydrochloric Acid SCHEMBL14632585 0.82 GPR119 (0.63) GPR119SRD5A1CHEK2USP30PDE4D
SCHEMBL1983176 0.81 LMNA (0.59) SRD5A1KDM4E
SCHEMBL1375233 0.81 GPR119 (0.54) GPR119SRD5A1CHEK2USP30PDE4D
SCHEMBL3345205 0.81 GPR119 (0.64) GPR119CHEK2USP30PDE4DPDE4A

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-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed