SCHEMBL8767704

SCHEMBL8767704

CCC(O)N1CCN(C(O)CC)CC1.CN1CCN(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
IDO1 P14902 1/20 0.35
MGLL Q99685 2/20 0.34
PHGDH O43175 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL1404051 1.00 KDM4E (0.35) KDM4EGLAIDO1MGLLPHGDH
SCHEMBL636365 0.89 TSHR (0.37)
SCHEMBL3923601 0.89
SCHEMBL6806038 0.81 KDM4E (0.33) KDM4EGLAIDO1MGLLPHGDH
SCHEMBL2551415 0.80 IDO1 (0.43) KDM4EGLAIDO1MGLLPHGDH
SCHEMBL841130 0.79
Sulfuric Acid SCHEMBL28081787 0.78 TP53 (0.30)
SCHEMBL4297694 0.78 ALDH1A1 (0.38) KDM4ECYP2D6ALDH1A1CYP1A2
SCHEMBL27854795 0.77 MEN1 (0.39) SLC6A3ALDH1A1TDP1
SCHEMBL81243 0.77 MEN1 (0.39) SLC6A3ALDH1A1TDP1

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-0791636-A1 PRIMER COMPOSITION NIPPON ARC CO., LTD. (JP) 1997-08-27 EP disclosed