SCHEMBL4725817

SCHEMBL4725817

O=C1NCc2cc(OCCCCN3CCN(c4cccc(Cl)c4C(F)(F)F)CC3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.59
HTR1A P08908 16/20 0.59
HTR2A P28223 16/20 0.59
KCNH2 Q12809 7/20 0.59
SLC6A4 P31645 4/20 0.59

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
SCHEMBL4727163 0.93 DRD2 (0.68) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4726951 0.90 DRD2 (0.68) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4725823 0.88 DRD2 (0.74) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4728160 0.86 DRD2 (0.74) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4725815 0.83 DRD2 (0.55) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4726614 0.81 HTR1A (0.70) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4729770 0.81 DRD2 (0.83) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4725837 0.81 DRD2 (0.87) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4727706 0.79 DRD2 (0.87) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4729234 0.78 DRD2 (0.83) DRD2HTR1AHTR2AKCNH2SLC6A4

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
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO claimed