SCHEMBL9407985

SCHEMBL9407985

CC(C)(C)OC(=O)N1CCC(CCNS)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
EPHX1 P07099 1/20 0.51
GPR119 Q8TDV5 9/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.48
FAAH O00519 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47

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
SCHEMBL16224989 0.88 GPR119 (0.53) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL4426117 0.88 KDM4E (0.55) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL2959700 0.86 KDM4E (0.51) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL3132960 0.85 HPGD (0.54) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL4012248 0.85 KDM4E (0.53) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL16014055 0.85 KDM4E (0.53) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL7391575 0.84 KDM4E (0.49) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL15085741 0.83 GPR119 (0.59) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL7478046 0.83 GPR119 (0.47) KDM4EPKMEPHX1GPR119HPGD
SCHEMBL310405 0.82 HPGD (0.54) KDM4EPKMEPHX1GPR119HPGD

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-0608858-A1 5-Membered heterocycles as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-08-03 EP disclosed