SCHEMBL4727331

SCHEMBL4727331

c1cc2c(c(N3CCN(CCCCc4ccc5c(c4)CNC5)CC3)c1)COCC2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.56
HTR1A P08908 17/20 0.56
HTR2A P28223 16/20 0.56
KCNH2 Q12809 4/20 0.45

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
SCHEMBL4727335 0.84 DRD2 (0.73) DRD2HTR1AHTR2AKCNH2
SCHEMBL4728033 0.78 HTR1A (0.71) DRD2HTR1AHTR2AKCNH2
SCHEMBL4725929 0.74 DRD2 (0.73) DRD2HTR1AHTR2AKCNH2
SCHEMBL4729269 0.72 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2
SCHEMBL4729240 0.71 DRD2 (0.75) DRD2HTR1AHTR2AKCNH2
SCHEMBL4727212 0.71 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2
SCHEMBL4728872 0.70 DRD2 (0.74) DRD2HTR1AHTR2AKCNH2
SCHEMBL5217694 0.70 ADRB1 (0.47) DRD2HTR1AHTR2A
SCHEMBL5251084 0.69 DRD2 (0.70) DRD2HTR1AHTR2AKCNH2
SCHEMBL4728059 0.69 DRD2 (0.75) DRD2HTR1AHTR2AKCNH2

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