SCHEMBL4400766

SCHEMBL4400766

O=C(NC1CCN(CCN2CCC(O)CC2)CC1)Oc1cc2c(OCC3CC3)cccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.37
DRD2 P14416 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SLC6A4 P31645 1/20 0.36
PARP1 P09874 3/20 0.36
PARP2 Q9UGN5 1/20 0.36
HTR7 P34969 5/20 0.35
HTR1A P08908 4/20 0.35
HTR2A P28223 1/20 0.35
FAAH O00519 1/20 0.34
HTR6 P50406 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
SCHEMBL4405338 0.96 TERT (0.36) TERTDRD2ADRA2AADRA2BADRA2C
SCHEMBL4412712 0.96 LMNA (0.36) TERTDRD2ADRA2AADRA2BADRA2C
SCHEMBL4404430 0.93 HTR4 (0.37) DRD2SLC6A4PARP1PARP2HTR7
SCHEMBL4400739 0.90 GUCY1B2 (0.37) DRD2SLC6A4PARP1HTR7HTR1A
SCHEMBL4396907 0.89 GUCY1B2 (0.34) DRD2SLC6A4PARP1HTR7HTR1A
SCHEMBL4403759 0.89 HTR1A (0.37) DRD2SLC6A4PARP1HTR1A
SCHEMBL4396585 0.88 LMNA (0.40) ADRA2ASLC6A4PARP1HTR7HTR1A
Hydrochloric Acid SCHEMBL4411256 0.87 HTR7 (0.40) TERTDRD2PARP1HTR7HTR1A
SCHEMBL4398650 0.86 GUCY1B2 (0.35) DRD2SLC6A4PARP1HTR7HTR1A
SCHEMBL4404435 0.86 TERT (0.39) TERTPARP1HTR7HTR1AFAAH

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-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed