SCHEMBL4727140

SCHEMBL4727140

Cc1cccc(N2CCN(CCCCc3ccc4c(c3)C(=O)NC4)CC2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.54
HTR2A P28223 18/20 0.54
HTR1A P08908 17/20 0.54
SLC6A4 P31645 8/20 0.51
KCNH2 Q12809 5/20 0.51

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
SCHEMBL4729240 0.84 DRD2 (0.75) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4728872 0.83 DRD2 (0.74) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4727139 0.81 DRD2 (0.47) DRD2HTR2AHTR1ASLC6A4
SCHEMBL4727286 0.80 DRD2 (0.54) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4728059 0.79 DRD2 (0.75) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4729397 0.79 HTR1A (0.75) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4729770 0.76 DRD2 (0.83) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4729234 0.74 DRD2 (0.83) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL22417424 0.71 DRD2 (0.47) DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL10836347 0.70 DRD2 (0.67) DRD2HTR2AHTR1ASLC6A4

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