SCHEMBL7144981

SCHEMBL7144981

CC(C)(C)OC(=O)N1CCC(CC#CCOS(C)(=O)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.47
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.40
EPHX1 P07099 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL6451175 0.84 GPR119 (0.43) GPR119HPGDRECQLEPHX1
SCHEMBL371712 0.81 GPR119 (0.55) GPR119KDM4EPKMHPGDRECQL
SCHEMBL1186866 0.81 KDM4E (0.50) GPR119KDM4EPKMHPGDRECQL
SCHEMBL310750 0.80 GPR119 (0.57) GPR119SCN9A
SCHEMBL13597261 0.80 HPGD (0.49) GPR119KDM4EPKMHPGDRECQL
SCHEMBL22849446 0.78 HPGD (0.45) GPR119KDM4EPKMHPGDRECQL
SCHEMBL1295880 0.78 GPR119 (0.64) GPR119SCN9A
SCHEMBL30288071 0.78 GPR119 (0.56) GPR119KDM4EPKMSCN9A
SCHEMBL29190414 0.77 GPR119 (0.54) GPR119HPGDSCN9A
SCHEMBL7556613 0.77 GPR119 (0.51) GPR119KDM4EPKMHPGDRECQL

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
EP-1317432-A1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
WO-2002020483-A1 PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO disclosed