SCHEMBL5507418

SCHEMBL5507418

CN1CCCC1CCN1[C]N(C2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
GPR119 Q8TDV5 9/20 0.41
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL5507425 0.78 HPGD (0.43) HPGDGPR119RECQLEPHX1KDM4E
SCHEMBL16292818 0.77 HPGD (0.44) HPGDGPR119EPHX1KDM4EPKM
SCHEMBL4387707 0.72 TP53 (0.43) HPGDGPR119RECQLEPHX1KDM4E
SCHEMBL5507423 0.71 HPGD (0.41) HPGDGPR119RECQLEPHX1KDM4E
SCHEMBL1085043 0.70 HPGD (0.49) HPGDGPR119RECQLEPHX1KDM4E
SCHEMBL1085044 0.70 HPGD (0.49) HPGDGPR119RECQLEPHX1KDM4E
SCHEMBL1720172 0.70 HPGD (0.49) HPGDGPR119RECQLEPHX1KDM4E
SCHEMBL5500642 0.69 DRD2 (0.43) RECQL
SCHEMBL20292138 0.69 HPGD (0.48) HPGDGPR119RECQLEPHX1KDM4E
SCHEMBL2958093 0.69 HPGD (0.48) HPGDRECQLEPHX1KDM4EPKM

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-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed