SCHEMBL4404430

SCHEMBL4404430

O=C(NC1CCN(CCN2CCCCCC2)CC1)Oc1cc2c(OCC3CC3)cccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.37
DRD2 P14416 3/20 0.36
SLC6A4 P31645 1/20 0.36
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
EPHX1 P07099 1/20 0.36
HTR1A P08908 3/20 0.36
HTR2A P28223 2/20 0.36
LMNA P02545 1/20 0.35
EPHX2 P34913 1/20 0.35
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR7 P34969 2/20 0.35

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
SCHEMBL4400739 0.97 GUCY1B2 (0.37) HTR4DRD2SLC6A4PARP1EPHX1
SCHEMBL4400766 0.93 TERT (0.37) DRD2SLC6A4PARP1PARP2HTR1A
SCHEMBL4412712 0.91 LMNA (0.36) DRD2SLC6A4PARP1EPHX1HTR1A
SCHEMBL4405338 0.91 TERT (0.36) DRD2SLC6A4PARP1HTR1ALMNA
SCHEMBL4396907 0.89 GUCY1B2 (0.34) DRD2SLC6A4PARP1HTR1AGUCY1B2
SCHEMBL4401901 0.88 HTR4 (0.46) HTR4DRD2
SCHEMBL4405631 0.88 SSTR4 (0.40) HTR4HTR1ALMNAHTR7
SCHEMBL4551166 0.88 LMNA (0.42) HTR4PARP1HTR1ALMNAHTR7
SCHEMBL4402091 0.88 LMNA (0.42) HTR4PARP1HTR1ALMNAHTR7
SCHEMBL4396602 0.88 SRD5A2 (0.47)

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